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]+ 194.09241 138.5
[M+Na]+ 216.07435 145.6
[M-H]- 192.07785 144.0
[M+NH4]+ 211.11895 157.6
[M+K]+ 232.04829 140.2
[M+H-H2O]+ 176.08239 136.5
[M+HCOO]- 238.08333 167.9
[M+CH3COO]- 252.09898 185.5
[M+Na-2H]- 214.05980 147.3
[M]+ 193.08458 137.6
[M]- 193.08568 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.