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 144.5
[M+Na]+ 228.11590 150.6
[M-H]- 204.11940 149.5
[M+NH4]+ 223.16050 163.2
[M+K]+ 244.08984 146.8
[M+H-H2O]+ 188.12394 136.5
[M+HCOO]- 250.12488 166.3
[M+CH3COO]- 264.14053 189.4
[M+Na-2H]- 226.10135 149.4
[M]+ 205.12613 139.3
[M]- 205.12723 139.3
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.