CID 2380489

N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoacetamide

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CC1=CC(=C(C=C1Cl)OC)NC(=O)CC#N
InChI
InChI=1S/C11H11ClN2O2/c1-7-5-9(14-11(15)3-4-13)10(16-2)6-8(7)12/h5-6H,3H2,1-2H3,(H,14,15)
InChIKey
MIAAAQZKLKWUON-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0509 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.058176 151.5
[M+Na]+ 261.040118 162.7
[M-H]- 237.043624 155.2
[M+NH4]+ 256.084723 168.5
[M+K]+ 277.014058 158.5
[M+H-H2O]+ 221.048160 140.1
[M+HCOO]- 283.049101 168.3
[M+CH3COO]- 297.064751 205.0
[M+Na-2H]- 259.025566 154.7
[M]+ 238.05035142 150.4
[M]- 238.05144858 150.4
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.