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]+ 267.23186 171.7
[M+Na]+ 289.21380 174.6
[M-H]- 265.21730 168.6
[M+NH4]+ 284.25840 187.6
[M+K]+ 305.18774 170.2
[M+H-H2O]+ 249.22184 165.5
[M+HCOO]- 311.22278 190.4
[M+CH3COO]- 325.23843 199.1
[M+Na-2H]- 287.19925 171.2
[M]+ 266.22403 175.3
[M]- 266.22513 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.