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]+ 210.104396 143.9
[M+Na]+ 232.086338 149.4
[M-H]- 208.089844 149.3
[M+NH4]+ 227.130943 156.6
[M+K]+ 248.060278 147.8
[M+H-H2O]+ 192.094380 132.9
[M+HCOO]- 254.095321 160.8
[M+CH3COO]- 268.110971 191.6
[M+Na-2H]- 230.071786 147.2
[M]+ 209.09657142 150.8
[M]- 209.09766858 150.8
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.