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]+ 196.108046 139.1
[M+Na]+ 218.089988 145.4
[M-H]- 194.093494 143.1
[M+NH4]+ 213.134593 157.4
[M+K]+ 234.063928 139.6
[M+H-H2O]+ 178.098030 137.3
[M+HCOO]- 240.098971 166.8
[M+CH3COO]- 254.114621 184.5
[M+Na-2H]- 216.075436 147.5
[M]+ 195.10022142 137.2
[M]- 195.10131858 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.