CID 169580

4-hydroxy-2-methylidenebutanoic acid

Structural Information

Molecular Formula
C5H8O3
SMILES
C=C(CCO)C(=O)O
InChI
InChI=1S/C5H8O3/c1-4(2-3-6)5(7)8/h6H,1-3H2,(H,7,8)
InChIKey
NJMYQRVWBCSLEU-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methylidenebutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

29179
Patents

116.04734 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 122.2
[M+Na]+ 139.03656 129.1
[M-H]- 115.04006 120.0
[M+NH4]+ 134.08116 143.3
[M+K]+ 155.01050 128.4
[M+H-H2O]+ 99.044600 118.4
[M+HCOO]- 161.04554 142.5
[M+CH3COO]- 175.06119 164.6
[M+Na-2H]- 137.02201 126.3
[M]+ 116.04679 120.9
[M]- 116.04789 120.9
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