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

7
Patents

175.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 139.4
[M+Na]+ 198.125318 143.0
[M-H]- 174.128824 144.8
[M+NH4]+ 193.169923 152.3
[M+K]+ 214.099258 143.6
[M+H-H2O]+ 158.133360 127.4
[M+HCOO]- 220.134301 160.6
[M+CH3COO]- 234.149951 186.8
[M+Na-2H]- 196.110766 143.7
[M]+ 175.13555142 143.8
[M]- 175.13664858 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