CID 541846

2-(methylamino)-n-phenylacetamide hydrochloride

Structural Information

Molecular Formula
C9H12N2O
SMILES
CNCC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C9H12N2O/c1-10-7-9(12)11-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,11,12)
InChIKey
GPKJKIOOIVUFMI-UHFFFAOYSA-N
Compound name
2-(methylamino)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

164.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 134.5
[M+Na]+ 187.08418 140.2
[M-H]- 163.08768 138.0
[M+NH4]+ 182.12878 154.3
[M+K]+ 203.05812 138.6
[M+H-H2O]+ 147.09222 128.0
[M+HCOO]- 209.09316 160.5
[M+CH3COO]- 223.10881 182.4
[M+Na-2H]- 185.06963 142.0
[M]+ 164.09441 132.8
[M]- 164.09551 132.8
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