CID 10924449

17-methyl-7z-octadecenoic acid

Structural Information

Molecular Formula
C19H36O2
SMILES
CC(C)CCCCCCCC/C=C\CCCCCC(=O)O
InChI
InChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h5,7,18H,3-4,6,8-17H2,1-2H3,(H,20,21)/b7-5-
InChIKey
GXUFWRIBHGDWJE-ALCCZGGFSA-N
Compound name
(Z)-17-methyloctadec-7-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.27155 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.27883 183.1
[M+Na]+ 319.26077 184.7
[M-H]- 295.26427 179.7
[M+NH4]+ 314.30537 197.8
[M+K]+ 335.23471 180.8
[M+H-H2O]+ 279.26881 176.5
[M+HCOO]- 341.26975 199.9
[M+CH3COO]- 355.28540 206.7
[M+Na-2H]- 317.24622 180.1
[M]+ 296.27100 187.5
[M]- 296.27210 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.