CID 52921786

15:6(2z,4e,6z,8e,12e,14)(6me,8me,10me[s],13me)

Structural Information

Molecular Formula
C19H26O2
SMILES
C[C@@H](C/C=C(\C)/C=C)/C=C(\C)/C=C(/C)\C=C\C=C/C(=O)O
InChI
InChI=1S/C19H26O2/c1-6-15(2)11-12-17(4)14-18(5)13-16(3)9-7-8-10-19(20)21/h6-11,13-14,17H,1,12H2,2-5H3,(H,20,21)/b9-7+,10-8-,15-11+,16-13-,18-14+/t17-/m0/s1
InChIKey
SKOXKKRJJGFOTR-UYBOVOCXSA-N
Compound name
(2Z,4E,6Z,8E,10S,12E)-6,8,10,13-tetramethylpentadeca-2,4,6,8,12,14-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.19327 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.20055 174.2
[M+Na]+ 309.18249 177.2
[M-H]- 285.18599 171.6
[M+NH4]+ 304.22709 189.2
[M+K]+ 325.15643 171.7
[M+H-H2O]+ 269.19053 168.9
[M+HCOO]- 331.19147 189.4
[M+CH3COO]- 345.20712 202.4
[M+Na-2H]- 307.16794 168.1
[M]+ 286.19272 173.0
[M]- 286.19382 173.0
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.