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]+ 195.087646 137.4
[M+Na]+ 217.069588 143.5
[M-H]- 193.073094 145.3
[M+NH4]+ 212.114193 156.9
[M+K]+ 233.043528 140.6
[M+H-H2O]+ 177.077630 134.3
[M+HCOO]- 239.078571 169.9
[M+CH3COO]- 253.094221 192.5
[M+Na-2H]- 215.055036 147.3
[M]+ 194.07982142 138.0
[M]- 194.08091858 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

literature stripe

Patent stripe

patents stripe