CID 229993

Methallyl methacrylate

Structural Information

Molecular Formula
C8H12O2
SMILES
CC(=C)COC(=O)C(=C)C
InChI
InChI=1S/C8H12O2/c1-6(2)5-10-8(9)7(3)4/h1,3,5H2,2,4H3
InChIKey
TVBLIEXOPWWREN-UHFFFAOYSA-N
Compound name
2-methylprop-2-enyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

750
Patents

140.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 129.5
[M+Na]+ 163.072938 136.3
[M-H]- 139.076444 129.9
[M+NH4]+ 158.117543 151.2
[M+K]+ 179.046878 136.1
[M+H-H2O]+ 123.080980 125.3
[M+HCOO]- 185.081921 150.9
[M+CH3COO]- 199.097571 176.3
[M+Na-2H]- 161.058386 132.1
[M]+ 140.08317142 130.4
[M]- 140.08426858 130.4
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