CID 5312811

7-hydroxy-10e,16-heptadecadien-8-ynoic acid

Structural Information

Molecular Formula
C17H26O3
SMILES
C=CCCC/C=C/CC#CC(CCCCCC(=O)O)O
InChI
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-10-13-16(18)14-11-9-12-15-17(19)20/h2,6-7,16,18H,1,3-5,8-9,11-12,14-15H2,(H,19,20)/b7-6+
InChIKey
SKEXYIDHVDOQQP-VOTSOKGWSA-N
Compound name
(11E)-7-hydroxyheptadeca-11,16-dien-8-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1882 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19548 169.9
[M+Na]+ 301.17742 175.2
[M-H]- 277.18092 165.8
[M+NH4]+ 296.22202 183.0
[M+K]+ 317.15136 170.1
[M+H-H2O]+ 261.18546 158.3
[M+HCOO]- 323.18640 181.7
[M+CH3COO]- 337.20205 202.8
[M+Na-2H]- 299.16287 167.7
[M]+ 278.18765 166.2
[M]- 278.18875 166.2
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.