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

literature stripe

Patent stripe

patents stripe