CID 5747968

Cyclohexyl(3,4-dihydroxy-5-nitrophenyl)methanone

Structural Information

Molecular Formula
C13H15NO5
SMILES
C1CCC(CC1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
InChI
InChI=1S/C13H15NO5/c15-11-7-9(6-10(13(11)17)14(18)19)12(16)8-4-2-1-3-5-8/h6-8,15,17H,1-5H2
InChIKey
HMPLXVAOEHZSPN-UHFFFAOYSA-N
Compound name
cyclohexyl-(3,4-dihydroxy-5-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09503 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10231 156.5
[M+Na]+ 288.08425 167.6
[M+NH4]+ 283.12885 163.0
[M+K]+ 304.05819 165.8
[M-H]- 264.08775 159.6
[M+Na-2H]- 286.06970 160.9
[M]+ 265.09448 158.5
[M]- 265.09558 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.