CID 114470

3-chloro-2-hydroxypropylmethacrylate

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
5
Annotation Hits

3
References

7455
Patents

178.03967 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04695 135.1
[M+Na]+ 201.02889 142.3
[M-H]- 177.03239 134.1
[M+NH4]+ 196.07349 155.4
[M+K]+ 217.00283 140.2
[M+H-H2O]+ 161.03693 131.9
[M+HCOO]- 223.03787 150.9
[M+CH3COO]- 237.05352 177.4
[M+Na-2H]- 199.01434 137.2
[M]+ 178.03912 137.7
[M]- 178.04022 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.