CID 10130021

19444-21-4

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CC(C)(C(=O)OCC=C)O

InChI

InChI=1S/C7H12O3/c1-4-5-10-6(8)7(2,3)9/h4,9H,1,5H2,2-3H3

InChIKey

CTQMWJKOPOFOSX-UHFFFAOYSA-N

Compound name

prop-2-enyl 2-hydroxy-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 207
Patents: 144.07864 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]+	145.08592	130.8
[M+Na]+	167.06786	139.7
[M+NH4]+	162.11246	137.1
[M+K]+	183.04180	136.3
[M-H]-	143.07136	128.0
[M+Na-2H]-	165.05331	133.0
[M]+	144.07809	131.0
[M]-	144.07919	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe