CID 134812110

Heptadec-14z-en-11-ynoic acid

Structural Information

Molecular Formula
C17H28O2
SMILES
CC/C=C\CC#CCCCCCCCCCC(=O)O
InChI
InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h3-4H,2,5,8-16H2,1H3,(H,18,19)/b4-3-
InChIKey
AQRFGVGEUUXXPS-ARJAWSKDSA-N
Compound name
(Z)-heptadec-14-en-11-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 165.2
[M+Na]+ 287.19814 171.0
[M-H]- 263.20164 162.4
[M+NH4]+ 282.24274 179.8
[M+K]+ 303.17208 166.3
[M+H-H2O]+ 247.20618 153.6
[M+HCOO]- 309.20712 179.0
[M+CH3COO]- 323.22277 203.4
[M+Na-2H]- 285.18359 164.9
[M]+ 264.20837 163.3
[M]- 264.20947 163.3
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.