CID 28454557

Rac-(1r,4r)-4-{[(2-fluorophenyl)methyl]amino}cyclohexan-1-ol hydrochloride

Structural Information

Molecular Formula
C13H18FNO
SMILES
C1CC(CCC1NCC2=CC=CC=C2F)O
InChI
InChI=1S/C13H18FNO/c14-13-4-2-1-3-10(13)9-15-11-5-7-12(16)8-6-11/h1-4,11-12,15-16H,5-9H2
InChIKey
NHCOMEZLJSALQB-UHFFFAOYSA-N
Compound name
4-[(2-fluorophenyl)methylamino]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13724 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14452 149.7
[M+Na]+ 246.12646 154.2
[M-H]- 222.12996 152.9
[M+NH4]+ 241.17106 166.7
[M+K]+ 262.10040 150.3
[M+H-H2O]+ 206.13450 141.8
[M+HCOO]- 268.13544 168.7
[M+CH3COO]- 282.15109 189.3
[M+Na-2H]- 244.11191 153.1
[M]+ 223.13669 142.6
[M]- 223.13779 142.6
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.