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 151.5
[M+Na]+ 261.04012 162.7
[M-H]- 237.04362 155.2
[M+NH4]+ 256.08472 168.5
[M+K]+ 277.01406 158.5
[M+H-H2O]+ 221.04816 140.1
[M+HCOO]- 283.04910 168.3
[M+CH3COO]- 297.06475 205.0
[M+Na-2H]- 259.02557 154.7
[M]+ 238.05035 150.4
[M]- 238.05145 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.