CID 178244253

6-imino-4-nitrocyclohexa-1,3-dien-1-ol

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1C(=CC=C(C1=N)O)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-2,7,9H,3H2
InChIKey
PKIFSLZKAJSLFZ-UHFFFAOYSA-N
Compound name
6-imino-4-nitrocyclohexa-1,3-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.03784 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.045116 125.4
[M+Na]+ 177.027058 132.7
[M-H]- 153.030564 128.3
[M+NH4]+ 172.071663 144.8
[M+K]+ 193.000998 126.8
[M+H-H2O]+ 137.035100 124.8
[M+HCOO]- 199.036041 150.6
[M+CH3COO]- 213.051691 169.0
[M+Na-2H]- 175.012506 133.6
[M]+ 154.03729142 120.6
[M]- 154.03838858 120.6
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.