CID 20110059

[1-(4-fluorophenyl)cyclohexyl]methanamine

Structural Information

Molecular Formula
C13H18FN
SMILES
C1CCC(CC1)(CN)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H18FN/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-10,15H2
InChIKey
VPDDMTHLPLVCMM-UHFFFAOYSA-N
Compound name
[1-(4-fluorophenyl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

207.14233 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14961 147.2
[M+Na]+ 230.13155 152.3
[M-H]- 206.13505 151.3
[M+NH4]+ 225.17615 167.2
[M+K]+ 246.10549 148.6
[M+H-H2O]+ 190.13959 139.6
[M+HCOO]- 252.14053 167.0
[M+CH3COO]- 266.15618 187.6
[M+Na-2H]- 228.11700 151.7
[M]+ 207.14178 139.4
[M]- 207.14288 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe