CID 37183

Nitrosamine

Structural Information

Molecular Formula
H2N2O
SMILES
NN=O
InChI
InChI=1S/H2N2O/c1-2-3/h(H2,1,3)
InChIKey
XKLJHFLUAHKGGU-UHFFFAOYSA-N
Compound name
nitrous amide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8211
References

29311
Patents

46.016712 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 47.023988 100.1
[M+Na]+ 69.005930 108.7
[M-H]- 45.009436 102.2
[M+NH4]+ 64.050535 125.3
[M+K]+ 84.979870 110.4
[M+H-H2O]+ 29.013972 95.7
[M+HCOO]- 91.014913 129.1
[M+CH3COO]- 105.03056 161.5
[M+Na-2H]- 66.991378 110.3
[M]+ 46.016163 99.1
[M]- 46.017261 99.1
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