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]+ 188.143376 158.8
[M+Na]+ 210.125318 162.8
[M-H]- 186.128824 163.9
[M+NH4]+ 205.169923 164.4
[M+K]+ 226.099258 166.8
[M+H-H2O]+ 170.133360 143.9
[M+HCOO]- 232.134301 172.6
[M+CH3COO]- 246.149951 212.4
[M+Na-2H]- 208.110766 165.3
[M]+ 187.13555142 181.8
[M]- 187.13664858 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.