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]+ 263.200546 164.9
[M+Na]+ 285.182488 171.0
[M-H]- 261.185994 162.0
[M+NH4]+ 280.227093 179.4
[M+K]+ 301.156428 165.6
[M+H-H2O]+ 245.190530 153.3
[M+HCOO]- 307.191471 178.8
[M+CH3COO]- 321.207121 202.7
[M+Na-2H]- 283.167936 164.5
[M]+ 262.19272142 162.3
[M]- 262.19381858 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.