CID 170267

2-hydroxy-3-butynoic acid

Structural Information

Molecular Formula
C4H4O3
SMILES
C#CC(C(=O)O)O
InChI
InChI=1S/C4H4O3/c1-2-3(5)4(6)7/h1,3,5H,(H,6,7)
InChIKey
LWNHDEQKHFRYMD-UHFFFAOYSA-N
Compound name
2-hydroxybut-3-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

68
Patents

100.016045 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.02332 118.3
[M+Na]+ 123.00526 127.7
[M-H]- 99.008769 116.1
[M+NH4]+ 118.04987 137.7
[M+K]+ 138.97920 126.8
[M+H-H2O]+ 83.013305 108.7
[M+HCOO]- 145.01425 133.5
[M+CH3COO]- 159.02990 171.2
[M+Na-2H]- 120.99071 122.3
[M]+ 100.01550 111.7
[M]- 100.01659 111.7
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