CID 171118784

14:4(2e,4e,8e,10e)(4me,6me[s],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/C(=O)O
InChI
InChI=1S/C17H26O2/c1-5-14(2)9-7-6-8-10-15(3)13-16(4)11-12-17(18)19/h6-9,11-15H,5,10H2,1-4H3,(H,18,19)/b8-6+,9-7+,12-11+,16-13+/t14-,15-/m0/s1
InChIKey
WBNCIAHQXVTZCN-UZMQBWJGSA-N
Compound name
(2E,4E,6S,8E,10E,12S)-4,6,12-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]+ 263.20055 169.3
[M+Na]+ 285.18249 172.6
[M-H]- 261.18599 166.8
[M+NH4]+ 280.22709 185.3
[M+K]+ 301.15643 168.3
[M+H-H2O]+ 245.19053 163.9
[M+HCOO]- 307.19147 185.6
[M+CH3COO]- 321.20712 197.9
[M+Na-2H]- 283.16794 165.2
[M]+ 262.19272 169.3
[M]- 262.19382 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.