CID 44152572

83711-60-8

Structural Information

Molecular Formula
C10H12N4O3
SMILES
CC(C(=O)C)N=NNC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O3/c1-7(8(2)15)11-13-12-9-3-5-10(6-4-9)14(16)17/h3-7H,1-2H3,(H,11,12)
InChIKey
ZMTRZXXDZGOIOP-UHFFFAOYSA-N
Compound name
3-[(4-nitroanilino)diazenyl]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09094 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.098216 148.6
[M+Na]+ 259.080158 153.3
[M-H]- 235.083664 154.8
[M+NH4]+ 254.124763 165.4
[M+K]+ 275.054098 149.4
[M+H-H2O]+ 219.088200 145.2
[M+HCOO]- 281.089141 178.4
[M+CH3COO]- 295.104791 197.6
[M+Na-2H]- 257.065606 156.0
[M]+ 236.09039142 148.0
[M]- 236.09148858 148.0
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.