CID 5312614

10e,16-heptadecadien-8-ynoic acid

Structural Information

Molecular Formula
C17H26O2
SMILES
C=CCCCC/C=C/C#CCCCCCCC(=O)O
InChI
InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2,7-8H,1,3-6,11-16H2,(H,18,19)/b8-7+
InChIKey
YABWMILQFXOECJ-BQYQJAHWSA-N
Compound name
(10E)-heptadeca-10,16-dien-8-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 164.9
[M+Na]+ 285.18249 171.0
[M-H]- 261.18599 162.0
[M+NH4]+ 280.22709 179.4
[M+K]+ 301.15643 165.6
[M+H-H2O]+ 245.19053 153.3
[M+HCOO]- 307.19147 178.8
[M+CH3COO]- 321.20712 202.7
[M+Na-2H]- 283.16794 164.5
[M]+ 262.19272 162.3
[M]- 262.19382 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.