CID 52921783

14:4(2e,4e,8e,10e)(6me[s],9me,12me[s])

Structural Information

Molecular Formula
C17H26O2
SMILES
CC[C@H](C)/C=C/C(=C/C[C@H](C)/C=C/C=C/C(=O)O)/C
InChI
InChI=1S/C17H26O2/c1-5-14(2)10-11-16(4)13-12-15(3)8-6-7-9-17(18)19/h6-11,13-15H,5,12H2,1-4H3,(H,18,19)/b8-6+,9-7+,11-10+,16-13+/t14-,15+/m0/s1
InChIKey
ZUKTWAFESTXCFD-USSQNJQLSA-N
Compound name
(2E,4E,6S,8E,10E,12S)-6,9,12-trimethyltetradeca-2,4,8,10-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 169.3
[M+Na]+ 285.182488 172.6
[M-H]- 261.185994 166.8
[M+NH4]+ 280.227093 185.3
[M+K]+ 301.156428 168.3
[M+H-H2O]+ 245.190530 163.9
[M+HCOO]- 307.191471 185.6
[M+CH3COO]- 321.207121 197.9
[M+Na-2H]- 283.167936 165.2
[M]+ 262.19272142 169.3
[M]- 262.19381858 169.3
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.