CID 81648

7227-92-1

Structural Information

Molecular Formula
C8H10N4O2
SMILES
CN(C)N=NC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H10N4O2/c1-11(2)10-9-7-3-5-8(6-4-7)12(13)14/h3-6H,1-2H3
InChIKey
KUUFZOFMKVIAAW-UHFFFAOYSA-N
Compound name
N-methyl-N-[(4-nitrophenyl)diazenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

194.08037 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08765 137.4
[M+Na]+ 217.06959 143.5
[M-H]- 193.07309 145.3
[M+NH4]+ 212.11419 156.9
[M+K]+ 233.04353 140.6
[M+H-H2O]+ 177.07763 134.3
[M+HCOO]- 239.07857 169.9
[M+CH3COO]- 253.09422 192.5
[M+Na-2H]- 215.05504 147.3
[M]+ 194.07982 138.0
[M]- 194.08092 138.0
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.