CID 24259228

1-[(2-fluorophenyl)methyl]cyclohexan-1-amine

Structural Information

Molecular Formula
C13H18FN
SMILES
C1CCC(CC1)(CC2=CC=CC=C2F)N
InChI
InChI=1S/C13H18FN/c14-12-7-3-2-6-11(12)10-13(15)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-10,15H2
InChIKey
WJXFWAQRENNYRC-UHFFFAOYSA-N
Compound name
1-[(2-fluorophenyl)methyl]cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.14233 Da
Monoisotopic Mass

3.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.