CID 9543156

Hydroxymethylnitramine

Structural Information

Molecular Formula
CH4N2O3
SMILES
C(N[N+](=O)[O-])O
InChI
InChI=1S/CH4N2O3/c4-1-2-3(5)6/h2,4H,1H2
InChIKey
JEXGCOGOSZPCEK-UHFFFAOYSA-N
Compound name
N-(hydroxymethyl)nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

92.022194 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.029470 110.3
[M+Na]+ 115.01141 117.5
[M-H]- 91.014918 109.9
[M+NH4]+ 110.05602 132.1
[M+K]+ 130.98535 114.1
[M+H-H2O]+ 75.019454 110.8
[M+HCOO]- 137.02040 136.8
[M+CH3COO]- 151.03604 156.9
[M+Na-2H]- 112.99686 120.6
[M]+ 92.021645 107.4
[M]- 92.022743 107.4
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