CID 12496934

2-(4-chlorophenyl)-2-(methylamino)acetamide

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
CNC(C1=CC=C(C=C1)Cl)C(=O)N
InChI
InChI=1S/C9H11ClN2O/c1-12-8(9(11)13)6-2-4-7(10)5-3-6/h2-5,8,12H,1H3,(H2,11,13)
InChIKey
BGYKMIQJZKQCRF-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-(methylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.05598 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06326 141.9
[M+Na]+ 221.04520 149.0
[M-H]- 197.04870 145.1
[M+NH4]+ 216.08980 161.1
[M+K]+ 237.01914 145.5
[M+H-H2O]+ 181.05324 136.7
[M+HCOO]- 243.05418 161.7
[M+CH3COO]- 257.06983 188.3
[M+Na-2H]- 219.03065 145.8
[M]+ 198.05543 141.2
[M]- 198.05653 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe