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
3
Annotation Hits

0
References

64162
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

literature stripe

Patent stripe

patents stripe