CID 97168

78987-76-5

Structural Information

Molecular Formula
C13H18FN
SMILES
CNC1(CCCCC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H18FN/c1-15-13(9-3-2-4-10-13)11-5-7-12(14)8-6-11/h5-8,15H,2-4,9-10H2,1H3
InChIKey
UGURUEVWEYBRSY-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-N-methylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

207.14233 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.149606 146.4
[M+Na]+ 230.131548 151.5
[M-H]- 206.135054 151.1
[M+NH4]+ 225.176153 166.7
[M+K]+ 246.105488 148.2
[M+H-H2O]+ 190.139590 138.8
[M+HCOO]- 252.140531 166.8
[M+CH3COO]- 266.156181 188.2
[M+Na-2H]- 228.116996 152.0
[M]+ 207.14178142 139.7
[M]- 207.14287858 139.7
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