CID 13643

N-methyl-n-benzylnitrosamine

Structural Information

Molecular Formula
C8H10N2O
SMILES
CN(CC1=CC=CC=C1)N=O
InChI
InChI=1S/C8H10N2O/c1-10(9-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
NGXUJKBJBFLCAR-UHFFFAOYSA-N
Compound name
N-benzyl-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

293
References

160
Patents

150.07932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 128.7
[M+Na]+ 173.06854 135.7
[M-H]- 149.07204 135.3
[M+NH4]+ 168.11314 150.5
[M+K]+ 189.04248 136.2
[M+H-H2O]+ 133.07658 122.0
[M+HCOO]- 195.07752 158.1
[M+CH3COO]- 209.09317 185.3
[M+Na-2H]- 171.05399 137.9
[M]+ 150.07877 130.7
[M]- 150.07987 130.7
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