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]+ 265.08190 157.0
[M+Na]+ 287.06384 161.1
[M-H]- 263.06734 162.0
[M+NH4]+ 282.10844 170.3
[M+K]+ 303.03778 150.4
[M+H-H2O]+ 247.07188 158.6
[M+HCOO]- 309.07282 179.1
[M+CH3COO]- 323.08847 183.5
[M+Na-2H]- 285.04929 163.7
[M]+ 264.07407 150.8
[M]- 264.07517 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.