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]+ 224.144516 149.7
[M+Na]+ 246.126458 154.2
[M-H]- 222.129964 152.9
[M+NH4]+ 241.171063 166.7
[M+K]+ 262.100398 150.3
[M+H-H2O]+ 206.134500 141.8
[M+HCOO]- 268.135441 168.7
[M+CH3COO]- 282.151091 189.3
[M+Na-2H]- 244.111906 153.1
[M]+ 223.13669142 142.6
[M]- 223.13778858 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.