CID 9543266

4-nitro-2,4-diazabutanal

Structural Information

Molecular Formula
C2H5N3O3
SMILES
C(NC=O)N[N+](=O)[O-]
InChI
InChI=1S/C2H5N3O3/c6-2-3-1-4-5(7)8/h2,4H,1H2,(H,3,6)
InChIKey
RUQJXYVDASXZMO-UHFFFAOYSA-N
Compound name
N-(nitramidomethyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

5
Patents

119.03309 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04037 116.1
[M+Na]+ 142.02231 122.6
[M-H]- 118.02581 116.8
[M+NH4]+ 137.06691 136.9
[M+K]+ 157.99625 119.2
[M+H-H2O]+ 102.03035 115.5
[M+HCOO]- 164.03129 144.8
[M+CH3COO]- 178.04694 166.6
[M+Na-2H]- 140.00776 126.7
[M]+ 119.03254 113.8
[M]- 119.03364 113.8
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.