CID 116166

64011-54-7

Structural Information

Molecular Formula
C14H18FN
SMILES
CN(C)C1CCC(=CC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H18FN/c1-16(2)14-9-5-12(6-10-14)11-3-7-13(15)8-4-11/h3-5,7-8,14H,6,9-10H2,1-2H3
InChIKey
BETZBOKCSGUOPV-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-N,N-dimethylcyclohex-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.14233 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14961 149.1
[M+Na]+ 242.13155 154.9
[M-H]- 218.13505 155.4
[M+NH4]+ 237.17615 167.9
[M+K]+ 258.10549 152.3
[M+H-H2O]+ 202.13959 140.7
[M+HCOO]- 264.14053 171.1
[M+CH3COO]- 278.15618 196.0
[M+Na-2H]- 240.11700 152.7
[M]+ 219.14178 145.5
[M]- 219.14288 145.5
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.