CID 29530

Methacrylic acid, 2-anilinoethyl ester

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC(=C)C(=O)OCCNC1=CC=CC=C1
InChI
InChI=1S/C12H15NO2/c1-10(2)12(14)15-9-8-13-11-6-4-3-5-7-11/h3-7,13H,1,8-9H2,2H3
InChIKey
UGCSBAYAYZNGRD-UHFFFAOYSA-N
Compound name
2-anilinoethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1305
Patents

205.11028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 146.9
[M+Na]+ 228.099498 152.2
[M-H]- 204.103004 150.0
[M+NH4]+ 223.144103 165.3
[M+K]+ 244.073438 150.3
[M+H-H2O]+ 188.107540 140.3
[M+HCOO]- 250.108481 170.3
[M+CH3COO]- 264.124131 188.5
[M+Na-2H]- 226.084946 151.2
[M]+ 205.10973142 147.2
[M]- 205.11082858 147.2
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

patents stripe