CID 114470

3-chloro-2-hydroxypropyl methacrylate

Structural Information

Molecular Formula

C₇H₁₁ClO₃

SMILES

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

InChI

InChI=1S/C7H11ClO3/c1-5(2)7(10)11-4-6(9)3-8/h6,9H,1,3-4H2,2H3

InChIKey

DDKMFQGAZVMXQV-UHFFFAOYSA-N

Compound name

(3-chloro-2-hydroxypropyl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 7338
Patents: 178.03967 Da
Monoisotopic Mass: 1.2
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]+	179.04695	135.6
[M+Na]+	201.02889	144.9
[M+NH4]+	196.07349	142.1
[M+K]+	217.00283	141.1
[M-H]-	177.03239	133.0
[M+Na-2H]-	199.01434	137.4
[M]+	178.03912	136.1
[M]-	178.04022	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe