CID 135554470

Oe-78

Structural Information

Molecular Formula
C6H10N4O4
SMILES
C1CC(N/C(=N\[N+](=O)[O-])/NC1)C(=O)O
InChI
InChI=1S/C6H10N4O4/c11-5(12)4-2-1-3-7-6(8-4)9-10(13)14/h4H,1-3H2,(H,11,12)(H2,7,8,9)
InChIKey
FJWMOVGCXKOKPT-UHFFFAOYSA-N
Compound name
(2Z)-2-nitroimino-1,3-diazepane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0702 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07748 140.6
[M+Na]+ 225.05942 146.4
[M+NH4]+ 220.10402 144.4
[M+K]+ 241.03336 148.0
[M-H]- 201.06292 139.4
[M+Na-2H]- 223.04487 142.0
[M]+ 202.06965 140.2
[M]- 202.07075 140.2
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.