CID 134812117

Heptadec-7z,11e-dien-9-ynoic acid

Structural Information

Molecular Formula
C17H26O2
SMILES
CCCCC/C=C/C#C/C=C\CCCCCC(=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/h6-7,10-11H,2-5,12-16H2,1H3,(H,18,19)/b7-6+,11-10-
InChIKey
KKLKCTIZIVVPOJ-WFKFFMJQSA-N
Compound name
(7Z,11E)-heptadeca-7,11-dien-9-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 165.2
[M+Na]+ 285.182488 171.4
[M-H]- 261.185994 162.4
[M+NH4]+ 280.227093 179.8
[M+K]+ 301.156428 166.1
[M+H-H2O]+ 245.190530 153.6
[M+HCOO]- 307.191471 179.2
[M+CH3COO]- 321.207121 202.1
[M+Na-2H]- 283.167936 164.8
[M]+ 262.19272142 162.6
[M]- 262.19381858 162.6
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.