CID 11065463

15-methyl-11z-hexadecenoic acid

Structural Information

Molecular Formula
C17H32O2
SMILES
CC(C)CC/C=C\CCCCCCCCCC(=O)O
InChI
InChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h8,10,16H,3-7,9,11-15H2,1-2H3,(H,18,19)/b10-8-
InChIKey
DUARHATZMSOGKI-NTMALXAHSA-N
Compound name
(Z)-15-methylhexadec-11-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

268.24023 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.24751 174.0
[M+Na]+ 291.22945 176.5
[M-H]- 267.23295 171.1
[M+NH4]+ 286.27405 189.9
[M+K]+ 307.20339 173.1
[M+H-H2O]+ 251.23749 167.9
[M+HCOO]- 313.23843 191.6
[M+CH3COO]- 327.25408 200.8
[M+Na-2H]- 289.21490 172.2
[M]+ 268.23968 177.7
[M]- 268.24078 177.7
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