CID 82024042

2-(4-chlorophenyl)-2-cyclobutylethan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H16ClN
SMILES
C1CC(C1)C(CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H16ClN/c13-11-6-4-10(5-7-11)12(8-14)9-2-1-3-9/h4-7,9,12H,1-3,8,14H2
InChIKey
KALMUDQFAQBCJM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-cyclobutylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09712 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10440 143.2
[M+Na]+ 232.08634 151.6
[M+NH4]+ 227.13094 149.1
[M+K]+ 248.06028 146.0
[M-H]- 208.08984 145.3
[M+Na-2H]- 230.07179 148.7
[M]+ 209.09657 144.1
[M]- 209.09767 144.1
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.