CID 28615207

223932-34-1

Structural Information

Molecular Formula
C13H18N2O3
SMILES
C1CC(CCC1NCC2=CC=CC=C2[N+](=O)[O-])O
InChI
InChI=1S/C13H18N2O3/c16-12-7-5-11(6-8-12)14-9-10-3-1-2-4-13(10)15(17)18/h1-4,11-12,14,16H,5-9H2
InChIKey
DELTZHFOMFJNKL-UHFFFAOYSA-N
Compound name
4-[(2-nitrophenyl)methylamino]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 155.5
[M+Na]+ 273.12096 166.8
[M+NH4]+ 268.16556 163.5
[M+K]+ 289.09490 163.1
[M-H]- 249.12446 160.8
[M+Na-2H]- 271.10641 161.8
[M]+ 250.13119 158.3
[M]- 250.13229 158.3
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.