CID 131751174

(e)-8-hydroxy-2-octene-4,6-diynoic acid

Structural Information

Molecular Formula
C8H6O3
SMILES
C(C#CC#C/C=C\C(=O)O)O
InChI
InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6-8(10)11/h4,6,9H,7H2,(H,10,11)/b6-4-
InChIKey
GKFXZHLOGJDYKO-XQRVVYSFSA-N
Compound name
(Z)-8-hydroxyoct-2-en-4,6-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.0317 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03898 146.3
[M+Na]+ 173.02092 155.9
[M-H]- 149.02442 145.7
[M+NH4]+ 168.06552 159.5
[M+K]+ 188.99486 152.5
[M+H-H2O]+ 133.02896 133.6
[M+HCOO]- 195.02990 154.5
[M+CH3COO]- 209.04555 199.1
[M+Na-2H]- 171.00637 147.3
[M]+ 150.03115 137.5
[M]- 150.03225 137.5
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

No patent data available for this compound.