CID 15642160

2-hydroxy-3-methylbut-2-enoic acid

Structural Information

Molecular Formula
C5H8O3
SMILES
CC(=C(C(=O)O)O)C
InChI
InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h6H,1-2H3,(H,7,8)
InChIKey
YXHQZJPTLDUABH-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methylbut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

116.04734 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 122.4
[M+Na]+ 139.03656 129.2
[M-H]- 115.04006 120.3
[M+NH4]+ 134.08116 143.5
[M+K]+ 155.01050 128.9
[M+H-H2O]+ 99.044600 118.6
[M+HCOO]- 161.04554 141.6
[M+CH3COO]- 175.06119 164.9
[M+Na-2H]- 137.02201 125.2
[M]+ 116.04679 120.3
[M]- 116.04789 120.3
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