CID 137942385

3-(2-phenylethyl)bicyclo[1.1.1]pentan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H17N
SMILES
C1C2(CC1(C2)N)CCC3=CC=CC=C3
InChI
InChI=1S/C13H17N/c14-13-8-12(9-13,10-13)7-6-11-4-2-1-3-5-11/h1-5H,6-10,14H2
InChIKey
ZDXSMTXWUBUOFK-UHFFFAOYSA-N
Compound name
3-(2-phenylethyl)bicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 158.8
[M+Na]+ 210.12532 162.8
[M-H]- 186.12882 163.9
[M+NH4]+ 205.16992 164.4
[M+K]+ 226.09926 166.8
[M+H-H2O]+ 170.13336 143.9
[M+HCOO]- 232.13430 172.6
[M+CH3COO]- 246.14995 212.4
[M+Na-2H]- 208.11077 165.3
[M]+ 187.13555 181.8
[M]- 187.13665 181.8
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.