PubChemLite - Mangiferadiol (C30H50O2)

Structural Information

Molecular Formula

SMILES

CC(CC/C=C(\C)/CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C

InChI

InChI=1S/C30H50O2/c1-20(18-31)8-7-9-21(2)22-12-14-28(6)24-11-10-23-26(3,4)25(32)13-15-29(23)19-30(24,29)17-16-27(22,28)5/h8,21-25,31-32H,7,9-19H2,1-6H3/b20-8+

InChIKey

KHRXLABAHCIXIJ-DNTJNYDQSA-N

Compound name

15-[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-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]+	443.38835	207.7
[M+Na]+	465.37029	215.5
[M+NH4]+	460.41489	222.9
[M+K]+	481.34423	203.1
[M-H]-	441.37379	217.1
[M+Na-2H]-	463.35574	213.8
[M]+	442.38052	213.4
[M]-	442.38162	213.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.38835

207.7

[M+Na]+

465.37029

215.5

[M+NH4]+

460.41489

222.9

[M+K]+

481.34423

203.1

[M-H]-

441.37379

217.1

[M+Na-2H]-

463.35574

213.8

[M]+

442.38052

213.4

[M]-

442.38162

213.4

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

Mangiferadiol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe