CID 52921797

16:1(10z)(15me)

Structural Information

Molecular Formula
C17H32O2
SMILES
CC(C)CCC/C=C\CCCCCCCCC(=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/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19)/b8-6-
InChIKey
RXCFIHNEQCDEAU-VURMDHGXSA-N
Compound name
(Z)-15-methylhexadec-10-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.