CID 71758311

4-(4-fluorophenyl)cyclohex-3-en-1-amine hydrochloride

Structural Information

Molecular Formula
C12H14FN
SMILES
C1CC(=CCC1N)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H14FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-3,5-6,12H,4,7-8,14H2
InChIKey
IVMGXSYYGUULSR-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)cyclohex-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.11102 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11830 140.5
[M+Na]+ 214.10024 147.1
[M-H]- 190.10374 145.2
[M+NH4]+ 209.14484 159.5
[M+K]+ 230.07418 143.2
[M+H-H2O]+ 174.10828 132.8
[M+HCOO]- 236.10922 162.1
[M+CH3COO]- 250.12487 185.7
[M+Na-2H]- 212.08569 145.0
[M]+ 191.11047 134.0
[M]- 191.11157 134.0
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