CID 117077

Benzenamine, n-methyl-2-[(methylimino)methyl]-4-nitro-

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CNC1=C(C=C(C=C1)[N+](=O)[O-])C=NC
InChI
InChI=1S/C9H11N3O2/c1-10-6-7-5-8(12(13)14)3-4-9(7)11-2/h3-6,11H,1-2H3
InChIKey
FJQAOWJWYLMEIH-UHFFFAOYSA-N
Compound name
N-methyl-2-(methyliminomethyl)-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 138.5
[M+Na]+ 216.074348 145.6
[M-H]- 192.077854 144.0
[M+NH4]+ 211.118953 157.6
[M+K]+ 232.048288 140.2
[M+H-H2O]+ 176.082390 136.5
[M+HCOO]- 238.083331 167.9
[M+CH3COO]- 252.098981 185.5
[M+Na-2H]- 214.059796 147.3
[M]+ 193.08458142 137.6
[M]- 193.08567858 137.6
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

No patent data available for this compound.