CID 14950918

Cyclohexyl(4-fluorophenyl)methanamine

Structural Information

Molecular Formula
C13H18FN
SMILES
C1CCC(CC1)C(C2=CC=C(C=C2)F)N
InChI
InChI=1S/C13H18FN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h6-10,13H,1-5,15H2
InChIKey
OYCUPNFRMCKIHN-UHFFFAOYSA-N
Compound name
cyclohexyl-(4-fluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

207.14233 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.149606 147.3
[M+Na]+ 230.131548 151.1
[M-H]- 206.135054 151.1
[M+NH4]+ 225.176153 165.1
[M+K]+ 246.105488 147.6
[M+H-H2O]+ 190.139590 139.2
[M+HCOO]- 252.140531 166.0
[M+CH3COO]- 266.156181 188.9
[M+Na-2H]- 228.116996 149.6
[M]+ 207.14178142 138.6
[M]- 207.14287858 138.6
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

patents stripe