CID 117022

Benzenemethanamine, n-methyl-2-(methylamino)-5-nitro-

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CNCC1=C(C=CC(=C1)[N+](=O)[O-])NC
InChI
InChI=1S/C9H13N3O2/c1-10-6-7-5-8(12(13)14)3-4-9(7)11-2/h3-5,10-11H,6H2,1-2H3
InChIKey
NRCUPURCPYSONN-UHFFFAOYSA-N
Compound name
N-methyl-2-(methylaminomethyl)-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 139.1
[M+Na]+ 218.08999 145.4
[M-H]- 194.09349 143.1
[M+NH4]+ 213.13459 157.4
[M+K]+ 234.06393 139.6
[M+H-H2O]+ 178.09803 137.3
[M+HCOO]- 240.09897 166.8
[M+CH3COO]- 254.11462 184.5
[M+Na-2H]- 216.07544 147.5
[M]+ 195.10022 137.2
[M]- 195.10132 137.2
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.