CID 5080248

18020-65-0

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC(C(=C)C(=O)OC)O

InChI

InChI=1S/C6H10O3/c1-4(5(2)7)6(8)9-3/h5,7H,1H2,2-3H3

InChIKey

VLCAYQIMSMPEBW-UHFFFAOYSA-N

Compound name

methyl 3-hydroxy-2-methylidenebutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13016
Patents: 130.06299 Da
Monoisotopic Mass: 0.2
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	126.0
[M+Na]+	153.05221	132.8
[M-H]-	129.05571	125.2
[M+NH4]+	148.09681	147.3
[M+K]+	169.02615	133.2
[M+H-H2O]+	113.06025	121.9
[M+HCOO]-	175.06119	146.5
[M+CH3COO]-	189.07684	170.5
[M+Na-2H]-	151.03766	128.9
[M]+	130.06244	126.3
[M]-	130.06354	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe