CID 55269564

2-cyclobutyl-2-phenylethan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
C1CC(C1)C(CN)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c13-9-12(11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2
InChIKey
RMOURVVMAJAXGD-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

175.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 139.4
[M+Na]+ 198.12532 143.0
[M-H]- 174.12882 144.8
[M+NH4]+ 193.16992 152.3
[M+K]+ 214.09926 143.6
[M+H-H2O]+ 158.13336 127.4
[M+HCOO]- 220.13430 160.6
[M+CH3COO]- 234.14995 186.8
[M+Na-2H]- 196.11077 143.7
[M]+ 175.13555 143.8
[M]- 175.13665 143.8
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

patents stripe