CID 9543151

Bis(hydroxymethyl)nitramine

Structural Information

Molecular Formula
C2H6N2O4
SMILES
C(N(CO)[N+](=O)[O-])O
InChI
InChI=1S/C2H6N2O4/c5-1-3(2-6)4(7)8/h5-6H,1-2H2
InChIKey
WRZHBAUINPFLED-UHFFFAOYSA-N
Compound name
N,N-bis(hydroxymethyl)nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

122.03275 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.04003 117.8
[M+Na]+ 145.02197 124.3
[M-H]- 121.02547 117.2
[M+NH4]+ 140.06657 138.2
[M+K]+ 160.99591 121.5
[M+H-H2O]+ 105.03001 117.8
[M+HCOO]- 167.03095 143.2
[M+CH3COO]- 181.04660 162.8
[M+Na-2H]- 143.00742 126.4
[M]+ 122.03220 115.9
[M]- 122.03330 115.9
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