CID 171118561

12z,16-heptadecadienoic acid

Structural Information

Molecular Formula
C17H30O2
SMILES
C=CCC/C=C\CCCCCCCCCCC(=O)O
InChI
InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2,5-6H,1,3-4,7-16H2,(H,18,19)/b6-5-
InChIKey
DJPJIMVUISFALP-WAYWQWQTSA-N
Compound name
(12Z)-heptadeca-12,16-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.22458 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.231856 171.7
[M+Na]+ 289.213798 174.6
[M-H]- 265.217304 168.6
[M+NH4]+ 284.258403 187.6
[M+K]+ 305.187738 170.2
[M+H-H2O]+ 249.221840 165.5
[M+HCOO]- 311.222781 190.4
[M+CH3COO]- 325.238431 199.1
[M+Na-2H]- 287.199246 171.2
[M]+ 266.22403142 175.3
[M]- 266.22512858 175.3
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.