CID 178244220

6-imino-4-nitrocyclohex-3-ene-1,2-diol

Structural Information

Molecular Formula
C6H8N2O4
SMILES
C1C(=CC(C(C1=N)O)O)[N+](=O)[O-]
InChI
InChI=1S/C6H8N2O4/c7-4-1-3(8(11)12)2-5(9)6(4)10/h2,5-7,9-10H,1H2
InChIKey
MICZTKOOBHFYJB-UHFFFAOYSA-N
Compound name
6-imino-4-nitrocyclohex-3-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0484 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.055676 129.6
[M+Na]+ 195.037618 136.2
[M-H]- 171.041124 131.0
[M+NH4]+ 190.082223 147.6
[M+K]+ 211.011558 130.2
[M+H-H2O]+ 155.045660 129.3
[M+HCOO]- 217.046601 152.0
[M+CH3COO]- 231.062251 170.2
[M+Na-2H]- 193.023066 136.0
[M]+ 172.04785142 123.3
[M]- 172.04894858 123.3
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.