PubChemLite - Ibjrnornawsuog-lsdhqdqosa-n (C34H58)

Structural Information

Molecular Formula

SMILES

CC1CCC(=CC1(C)C)C(C)CCC(C)(C=C)/C=C/C(C)CCC(C)C(=C)CCC(C)C(=C)C

InChI

InChI=1S/C34H58/c1-13-34(12,23-21-30(8)32-19-18-31(9)33(10,11)24-32)22-20-26(4)14-15-28(6)29(7)17-16-27(5)25(2)3/h13,20,22,24,26-28,30-31H,1-2,7,14-19,21,23H2,3-6,8-12H3/b22-20+

InChIKey

IBJRNORNAWSUOG-LSDHQDQOSA-N

Compound name

1-[(6E)-5-ethenyl-5,8,11,15,16-pentamethyl-12-methylideneheptadeca-6,16-dien-2-yl]-3,3,4-trimethylcyclohexene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	467.46114	222.0
[M+Na]+	489.44308	220.2
[M-H]-	465.44658	222.0
[M+NH4]+	484.48768	232.6
[M+K]+	505.41702	214.4
[M+H-H2O]+	449.45112	216.4
[M+HCOO]-	511.45206	228.8
[M+CH3COO]-	525.46771	249.5
[M+Na-2H]-	487.42853	209.9
[M]+	466.45331	222.4
[M]-	466.45441	222.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.46114

222.0

[M+Na]+

489.44308

220.2

[M-H]-

465.44658

222.0

[M+NH4]+

484.48768

232.6

[M+K]+

505.41702

214.4

[M+H-H2O]+

449.45112

216.4

[M+HCOO]-

511.45206

228.8

[M+CH3COO]-

525.46771

249.5

[M+Na-2H]-

487.42853

209.9

[M]+

466.45331

222.4

[M]-

466.45441

222.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Ibjrnornawsuog-lsdhqdqosa-n

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe