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

35
Patents

193.08513 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 139.8
[M+Na]+ 216.07435 145.4
[M-H]- 192.07785 146.1
[M+NH4]+ 211.11895 159.3
[M+K]+ 232.04829 146.0
[M+H-H2O]+ 176.08239 132.2
[M+HCOO]- 238.08333 169.3
[M+CH3COO]- 252.09898 194.7
[M+Na-2H]- 214.05980 147.4
[M]+ 193.08458 141.3
[M]- 193.08568 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