PubChemLite - 24-ethyllophenol (C30H52O)

Structural Information

Molecular Formula

SMILES

CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C(C)C

InChI

InChI=1S/C30H52O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h11,19-22,24-28,31H,8-10,12-18H2,1-7H3

InChIKey

IYIFZADLIMVECH-UHFFFAOYSA-N

Compound name

17-(5-ethyl-6-methylheptan-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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]+	429.40910	217.0
[M+Na]+	451.39104	217.2
[M-H]-	427.39454	218.0
[M+NH4]+	446.43564	234.9
[M+K]+	467.36498	210.8
[M+H-H2O]+	411.39908	210.6
[M+HCOO]-	473.40002	219.0
[M+CH3COO]-	487.41567	236.1
[M+Na-2H]-	449.37649	207.8
[M]+	428.40127	210.5
[M]-	428.40237	210.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.40910

217.0

[M+Na]+

451.39104

217.2

[M-H]-

427.39454

218.0

[M+NH4]+

446.43564

234.9

[M+K]+

467.36498

210.8

[M+H-H2O]+

411.39908

210.6

[M+HCOO]-

473.40002

219.0

[M+CH3COO]-

487.41567

236.1

[M+Na-2H]-

449.37649

207.8

[M]+

428.40127

210.5

[M]-

428.40237

210.5

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

24-ethyllophenol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe