CID 131839740

7-hydroxy-10e-hexadecen-8-ynoic acid

Structural Information

Molecular Formula
C16H26O3
SMILES
CCCCC/C=C/C#CC(CCCCCC(=O)O)O
InChI
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19/h6-7,15,17H,2-5,8,10-11,13-14H2,1H3,(H,18,19)/b7-6+
InChIKey
AGJDSYBSWRQZQH-VOTSOKGWSA-N
Compound name
(E)-7-hydroxyhexadec-10-en-8-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1882 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.195476 166.3
[M+Na]+ 289.177418 171.8
[M-H]- 265.180924 162.4
[M+NH4]+ 284.222023 180.0
[M+K]+ 305.151358 167.5
[M+H-H2O]+ 249.185460 154.9
[M+HCOO]- 311.186401 178.3
[M+CH3COO]- 325.202051 200.9
[M+Na-2H]- 287.162866 164.7
[M]+ 266.18765142 163.0
[M]- 266.18874858 163.0
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.