CID 13271482

Ethyl 2-hydroxybut-3-enoate

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CCOC(=O)C(C=C)O

InChI

InChI=1S/C6H10O3/c1-3-5(7)6(8)9-4-2/h3,5,7H,1,4H2,2H3

InChIKey

HMCVHEYVNMVFDP-UHFFFAOYSA-N

Compound name

ethyl 2-hydroxybut-3-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 130.06299 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	131.07027	126.1
[M+Na]+	153.05221	133.1
[M-H]-	129.05571	125.2
[M+NH4]+	148.09681	147.4
[M+K]+	169.02615	133.1
[M+H-H2O]+	113.06025	121.9
[M+HCOO]-	175.06119	147.5
[M+CH3COO]-	189.07684	169.6
[M+Na-2H]-	151.03766	130.2
[M]+	130.06244	127.0
[M]-	130.06354	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe