CID 13539

2-hydroxypropyl methacrylate

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CC(COC(=O)C(=C)C)O

InChI

InChI=1S/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3

InChIKey

VHSHLMUCYSAUQU-UHFFFAOYSA-N

Compound name

2-hydroxypropyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 42
References: 92985
Patents: 144.07864 Da
Monoisotopic Mass: 1.0
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]+	145.085916	130.7
[M+Na]+	167.067858	137.1
[M-H]-	143.071364	129.7
[M+NH4]+	162.112463	151.4
[M+K]+	183.041798	137.3
[M+H-H2O]+	127.075900	126.4
[M+HCOO]-	189.076841	150.9
[M+CH3COO]-	203.092491	173.6
[M+Na-2H]-	165.053306	133.0
[M]+	144.07809142	131.4
[M]-	144.07918858	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe