CID 136138858

62454-83-5

Structural Information

Molecular Formula
C10H12N4O3
SMILES
C/C(=N\NC1=CC=C(C=C1)[N+](=O)[O-])/C(=N\O)/C
InChI
InChI=1S/C10H12N4O3/c1-7(8(2)13-15)11-12-9-3-5-10(6-4-9)14(16)17/h3-6,12,15H,1-2H3/b11-7+,13-8-
InChIKey
FOJBDPWRVOUZOL-NVGJIZNYSA-N
Compound name
(NZ)-N-[(3E)-3-[(4-nitrophenyl)hydrazinylidene]butan-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09094 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.098216 148.3
[M+Na]+ 259.080158 152.7
[M-H]- 235.083664 153.2
[M+NH4]+ 254.124763 164.6
[M+K]+ 275.054098 148.0
[M+H-H2O]+ 219.088200 145.3
[M+HCOO]- 281.089141 176.7
[M+CH3COO]- 295.104791 194.3
[M+Na-2H]- 257.065606 155.4
[M]+ 236.09039142 145.8
[M]- 236.09148858 145.8
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.