CID 43515132

Methyl 2-[(4-cyanophenyl)amino]propanoate

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC(C(=O)OC)NC1=CC=C(C=C1)C#N
InChI
InChI=1S/C11H12N2O2/c1-8(11(14)15-2)13-10-5-3-9(7-12)4-6-10/h3-6,8,13H,1-2H3
InChIKey
IGHKAKINXSIIIN-UHFFFAOYSA-N
Compound name
methyl 2-(4-cyanoanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 147.7
[M+Na]+ 227.07909 156.1
[M-H]- 203.08259 150.9
[M+NH4]+ 222.12369 164.4
[M+K]+ 243.05303 154.1
[M+H-H2O]+ 187.08713 134.9
[M+HCOO]- 249.08807 167.6
[M+CH3COO]- 263.10372 200.3
[M+Na-2H]- 225.06454 151.3
[M]+ 204.08932 143.4
[M]- 204.09042 143.4
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.