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]+ 251.139016 154.7
[M+Na]+ 273.120958 157.5
[M-H]- 249.124464 159.1
[M+NH4]+ 268.165563 169.5
[M+K]+ 289.094898 150.4
[M+H-H2O]+ 233.129000 151.8
[M+HCOO]- 295.129941 175.9
[M+CH3COO]- 309.145591 188.0
[M+Na-2H]- 271.106406 160.0
[M]+ 250.13119142 147.7
[M]- 250.13228858 147.7
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.