CID 945

Nitroxyl

Structural Information

Molecular Formula
HNO
SMILES
N=O
InChI
InChI=1S/HNO/c1-2/h1H
InChIKey
ODUCDPQEXGNKDN-UHFFFAOYSA-N
Compound name
nitroxyl
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1189
References

381120
Patents

31.005814 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 32.013090 96.2
[M+Na]+ 53.995032 105.2
[M-H]- 29.998538 97.5
[M+NH4]+ 49.039637 121.9
[M+K]+ 69.968972 106.5
[M+H-H2O]+ 14.003074 92.7
[M+HCOO]- 76.004015 123.4
[M+CH3COO]- 90.019665 155.3
[M+Na-2H]- 51.980480 106.9
[M]+ 31.005265 95.2
[M]- 31.006363 95.2
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