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 143.9
[M+Na]+ 232.08634 149.4
[M-H]- 208.08984 149.3
[M+NH4]+ 227.13094 156.6
[M+K]+ 248.06028 147.8
[M+H-H2O]+ 192.09438 132.9
[M+HCOO]- 254.09532 160.8
[M+CH3COO]- 268.11097 191.6
[M+Na-2H]- 230.07179 147.2
[M]+ 209.09657 150.8
[M]- 209.09767 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.