CID 108799

59665-02-0

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CN(CNC(=O)C1=CC=CC=C1)N=O
InChI
InChI=1S/C9H11N3O2/c1-12(11-14)7-10-9(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,13)
InChIKey
ISJYDRMADFXOGD-UHFFFAOYSA-N
Compound name
N-[[methyl(nitroso)amino]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

193.08513 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 139.8
[M+Na]+ 216.074348 145.4
[M-H]- 192.077854 146.1
[M+NH4]+ 211.118953 159.3
[M+K]+ 232.048288 146.0
[M+H-H2O]+ 176.082390 132.2
[M+HCOO]- 238.083331 169.3
[M+CH3COO]- 252.098981 194.7
[M+Na-2H]- 214.059796 147.4
[M]+ 193.08458142 141.3
[M]- 193.08567858 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe