CID 20769

Isopropyl methacrylate

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C)OC(=O)C(=C)C
InChI
InChI=1S/C7H12O2/c1-5(2)7(8)9-6(3)4/h6H,1H2,2-4H3
InChIKey
BOQSSGDQNWEFSX-UHFFFAOYSA-N
Compound name
propan-2-yl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

63195
Patents

128.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 126.6
[M+Na]+ 151.07294 133.5
[M-H]- 127.07644 127.1
[M+NH4]+ 146.11754 148.8
[M+K]+ 167.04688 134.1
[M+H-H2O]+ 111.08098 122.4
[M+HCOO]- 173.08192 148.0
[M+CH3COO]- 187.09757 174.2
[M+Na-2H]- 149.05839 129.6
[M]+ 128.08317 127.8
[M]- 128.08427 127.8
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.