CID 34023

2-hydroxy-1-methylethyl methacrylate

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(CO)OC(=O)C(=C)C
InChI
InChI=1S/C7H12O3/c1-5(2)7(9)10-6(3)4-8/h6,8H,1,4H2,2-3H3
InChIKey
ZMARGGQEAJXRFP-UHFFFAOYSA-N
Compound name
1-hydroxypropan-2-yl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

346
References

2470
Patents

144.07864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 130.7
[M+Na]+ 167.06786 137.1
[M-H]- 143.07136 129.7
[M+NH4]+ 162.11246 151.4
[M+K]+ 183.04180 137.3
[M+H-H2O]+ 127.07590 126.4
[M+HCOO]- 189.07684 150.9
[M+CH3COO]- 203.09249 173.6
[M+Na-2H]- 165.05331 133.0
[M]+ 144.07809 131.4
[M]- 144.07919 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe