CID 12312794

Nitroacetaldehyde oxime

Structural Information

Molecular Formula
C2H4N2O3
SMILES
C(/C=N/O)[N+](=O)[O-]
InChI
InChI=1S/C2H4N2O3/c5-3-1-2-4(6)7/h1,5H,2H2/b3-1+
InChIKey
FYFYCAVDUPOEOO-HNQUOIGGSA-N
Compound name
(NE)-N-(2-nitroethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

104.022194 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.02947 114.1
[M+Na]+ 127.01141 121.6
[M-H]- 103.01492 115.0
[M+NH4]+ 122.05602 136.1
[M+K]+ 142.98535 118.4
[M+H-H2O]+ 87.019454 114.2
[M+HCOO]- 149.02040 141.9
[M+CH3COO]- 163.03604 161.0
[M+Na-2H]- 124.99686 124.3
[M]+ 104.02165 112.6
[M]- 104.02274 112.6
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.