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]+ 151.038976 146.3
[M+Na]+ 173.020918 155.9
[M-H]- 149.024424 145.7
[M+NH4]+ 168.065523 159.5
[M+K]+ 188.994858 152.5
[M+H-H2O]+ 133.028960 133.6
[M+HCOO]- 195.029901 154.5
[M+CH3COO]- 209.045551 199.1
[M+Na-2H]- 171.006366 147.3
[M]+ 150.03115142 137.5
[M]- 150.03224858 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.