CID 135554471

Og-12

Structural Information

Molecular Formula
C8H14N4O4
SMILES
CCOC(=O)C1CCCN/C(=N/[N+](=O)[O-])/N1
InChI
InChI=1S/C8H14N4O4/c1-2-16-7(13)6-4-3-5-9-8(10-6)11-12(14)15/h6H,2-5H2,1H3,(H2,9,10,11)
InChIKey
WMTZYHIVVHJKAB-UHFFFAOYSA-N
Compound name
ethyl (2Z)-2-nitroimino-1,3-diazepane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1015 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10878 147.2
[M+Na]+ 253.09072 149.2
[M-H]- 229.09422 147.6
[M+NH4]+ 248.13532 159.3
[M+K]+ 269.06466 149.2
[M+H-H2O]+ 213.09876 142.8
[M+HCOO]- 275.09970 165.1
[M+CH3COO]- 289.11535 182.7
[M+Na-2H]- 251.07617 152.3
[M]+ 230.10095 137.8
[M]- 230.10205 137.8
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.