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 154.7
[M+Na]+ 273.12096 157.5
[M-H]- 249.12446 159.1
[M+NH4]+ 268.16556 169.5
[M+K]+ 289.09490 150.4
[M+H-H2O]+ 233.12900 151.8
[M+HCOO]- 295.12994 175.9
[M+CH3COO]- 309.14559 188.0
[M+Na-2H]- 271.10641 160.0
[M]+ 250.13119 147.7
[M]- 250.13229 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.