CID 84688

P-tolyl methacrylate

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1=CC=C(C=C1)OC(=O)C(=C)C
InChI
InChI=1S/C11H12O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
InChIKey
AOUAMFARIYTDLK-UHFFFAOYSA-N
Compound name
(4-methylphenyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2603
Patents

176.08372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 136.3
[M+Na]+ 199.072938 144.0
[M-H]- 175.076444 140.3
[M+NH4]+ 194.117543 156.7
[M+K]+ 215.046878 142.5
[M+H-H2O]+ 159.080980 130.8
[M+HCOO]- 221.081921 159.2
[M+CH3COO]- 235.097571 181.8
[M+Na-2H]- 197.058386 140.5
[M]+ 176.08317142 137.6
[M]- 176.08426858 137.6
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