CID 4578210

N-benzyl-n-methylacetamide

Structural Information

Molecular Formula
C10H13NO
SMILES
CC(=O)N(C)CC1=CC=CC=C1
InChI
InChI=1S/C10H13NO/c1-9(12)11(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey
NQXVNLHPEJBZAT-UHFFFAOYSA-N
Compound name
N-benzyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
Patents

163.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 135.1
[M+Na]+ 186.088938 141.5
[M-H]- 162.092444 140.1
[M+NH4]+ 181.133543 156.1
[M+K]+ 202.062878 141.1
[M+H-H2O]+ 146.096980 128.8
[M+HCOO]- 208.097921 160.3
[M+CH3COO]- 222.113571 184.0
[M+Na-2H]- 184.074386 141.1
[M]+ 163.09917142 135.9
[M]- 163.10026858 135.9
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