CID 10130021

2-hydroxy-2-methyl-propionic acid allyl ester

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: 326
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	129.9
[M+Na]+	167.06786	137.2
[M-H]-	143.07136	129.1
[M+NH4]+	162.11246	150.9
[M+K]+	183.04180	136.9
[M+H-H2O]+	127.07590	126.2
[M+HCOO]-	189.07684	150.5
[M+CH3COO]-	203.09249	172.0
[M+Na-2H]-	165.05331	135.6
[M]+	144.07809	131.5
[M]-	144.07919	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe