CID 10468893

4-methyl-7,11-heptadecadienoic acid

Structural Information

Molecular Formula
C18H32O2
SMILES
CCCCC/C=C\CC/C=C\CCC(C)CCC(=O)O
InChI
InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)15-16-18(19)20/h7-8,11-12,17H,3-6,9-10,13-16H2,1-2H3,(H,19,20)/b8-7-,12-11-
InChIKey
HNLWSHWQZXSOLR-MQEUWQHPSA-N
Compound name
(7Z,11Z)-4-methylheptadeca-7,11-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

280.24023 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.24751 177.0
[M+Na]+ 303.22945 179.4
[M-H]- 279.23295 173.9
[M+NH4]+ 298.27405 192.4
[M+K]+ 319.20339 175.2
[M+H-H2O]+ 263.23749 170.8
[M+HCOO]- 325.23843 194.5
[M+CH3COO]- 339.25408 202.2
[M+Na-2H]- 301.21490 174.7
[M]+ 280.23968 180.3
[M]- 280.24078 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe