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]+ 237.09822 148.3
[M+Na]+ 259.08016 152.7
[M-H]- 235.08366 153.2
[M+NH4]+ 254.12476 164.6
[M+K]+ 275.05410 148.0
[M+H-H2O]+ 219.08820 145.3
[M+HCOO]- 281.08914 176.7
[M+CH3COO]- 295.10479 194.3
[M+Na-2H]- 257.06561 155.4
[M]+ 236.09039 145.8
[M]- 236.09149 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.