CID 54691070

Methyl 3-hydroxybut-2-enoate

Structural Information

Molecular Formula
C5H8O3
SMILES
CC(=CC(=O)OC)O
InChI
InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3,6H,1-2H3
InChIKey
DHVOJYDALVUWPZ-UHFFFAOYSA-N
Compound name
methyl 3-hydroxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

116.04734 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 121.5
[M+Na]+ 139.03656 129.1
[M-H]- 115.04006 120.9
[M+NH4]+ 134.08116 143.5
[M+K]+ 155.01050 129.3
[M+H-H2O]+ 99.044600 117.6
[M+HCOO]- 161.04554 143.4
[M+CH3COO]- 175.06119 165.9
[M+Na-2H]- 137.02201 126.2
[M]+ 116.04679 122.1
[M]- 116.04789 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe