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]+ 239.05818 148.5
[M+Na]+ 261.04012 160.5
[M+NH4]+ 256.08472 152.7
[M+K]+ 277.01406 151.3
[M-H]- 237.04362 143.2
[M+Na-2H]- 259.02557 151.8
[M]+ 238.05035 148.0
[M]- 238.05145 148.0
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.