CID 94246

2-propenoic acid, 2-hydroxy-1-methylethyl ester

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

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

InChI

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

InChIKey

UXYMHGCNVRUGNO-UHFFFAOYSA-N

Compound name

1-hydroxypropan-2-yl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6124
Patents: 130.06299 Da
Monoisotopic Mass: 0.5
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]+	131.070266	126.1
[M+Na]+	153.052208	133.1
[M-H]-	129.055714	125.2
[M+NH4]+	148.096813	147.4
[M+K]+	169.026148	133.1
[M+H-H2O]+	113.060250	121.9
[M+HCOO]-	175.061191	147.5
[M+CH3COO]-	189.076841	169.6
[M+Na-2H]-	151.037656	130.2
[M]+	130.06244142	127.0
[M]-	130.06353858	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe