CID 3056376

2-(3-cyclohexenyl)-4,6-diaminophenol

Structural Information

Molecular Formula
C12H12N2O5
SMILES
C1CC(CC=C1)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C12H12N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h1-2,6-8,15H,3-5H2
InChIKey
DGSNKEIBWIKGNZ-UHFFFAOYSA-N
Compound name
2-cyclohex-3-en-1-yl-4,6-dinitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.07462 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.081896 157.0
[M+Na]+ 287.063838 161.1
[M-H]- 263.067344 162.0
[M+NH4]+ 282.108443 170.3
[M+K]+ 303.037778 150.4
[M+H-H2O]+ 247.071880 158.6
[M+HCOO]- 309.072821 179.1
[M+CH3COO]- 323.088471 183.5
[M+Na-2H]- 285.049286 163.7
[M]+ 264.07407142 150.8
[M]- 264.07516858 150.8
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.