CID 92033106

Hexadec-13z-en-11-ynoic acid

Structural Information

Molecular Formula
C16H26O2
SMILES
CC/C=C\C#CCCCCCCCCCC(=O)O
InChI
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4H,2,7-15H2,1H3,(H,17,18)/b4-3-
InChIKey
ZXOJISPJUDADNS-ARJAWSKDSA-N
Compound name
(Z)-hexadec-13-en-11-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

250.19328 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 161.3
[M+Na]+ 273.18250 167.6
[M-H]- 249.18600 158.7
[M+NH4]+ 268.22710 176.4
[M+K]+ 289.15644 163.0
[M+H-H2O]+ 233.19054 149.9
[M+HCOO]- 295.19148 175.4
[M+CH3COO]- 309.20713 200.8
[M+Na-2H]- 271.16795 161.5
[M]+ 250.19273 159.1
[M]- 250.19383 159.1
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

patents stripe