CID 9815393

N-benzyl-2-(methylamino)acetamide

Structural Information

Molecular Formula
C10H14N2O
SMILES
CNCC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C10H14N2O/c1-11-8-10(13)12-7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,12,13)
InChIKey
XJMFSXXPSYKZHK-UHFFFAOYSA-N
Compound name
N-benzyl-2-(methylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

178.11061 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.1
[M+Na]+ 201.09983 144.3
[M-H]- 177.10333 142.4
[M+NH4]+ 196.14443 158.3
[M+K]+ 217.07377 142.5
[M+H-H2O]+ 161.10787 132.4
[M+HCOO]- 223.10881 164.8
[M+CH3COO]- 237.12446 185.4
[M+Na-2H]- 199.08528 146.0
[M]+ 178.11006 137.8
[M]- 178.11116 137.8
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