CID 135465817

Og-21

Structural Information

Molecular Formula
C5H8N4O4
SMILES
C1CN/C(=N\[N+](=O)[O-])/NC1C(=O)O
InChI
InChI=1S/C5H8N4O4/c10-4(11)3-1-2-6-5(7-3)8-9(12)13/h3H,1-2H2,(H,10,11)(H2,6,7,8)
InChIKey
HFIFDYDAFNLBCX-UHFFFAOYSA-N
Compound name
(2E)-2-nitroimino-1,3-diazinane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.05455 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06183 134.0
[M+Na]+ 211.04377 138.3
[M-H]- 187.04727 131.9
[M+NH4]+ 206.08837 147.9
[M+K]+ 227.01771 132.4
[M+H-H2O]+ 171.05181 131.7
[M+HCOO]- 233.05275 152.1
[M+CH3COO]- 247.06840 169.9
[M+Na-2H]- 209.02922 140.8
[M]+ 188.05400 124.6
[M]- 188.05510 124.6
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.