CID 116167

64011-55-8

Structural Information

Molecular Formula
C13H16FN
SMILES
CNC1CCC(=CC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H16FN/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-4,6-7,13,15H,5,8-9H2,1H3
InChIKey
LDJJKBNMNLNRLP-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-N-methylcyclohex-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.12668 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.13396 147.0
[M+Na]+ 228.11590 159.8
[M+NH4]+ 223.16050 156.4
[M+K]+ 244.08984 151.4
[M-H]- 204.11940 151.5
[M+Na-2H]- 226.10135 155.6
[M]+ 205.12613 150.1
[M]- 205.12723 150.1
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.