CID 137942869

3-(4-propylphenyl)bicyclo[1.1.1]pentan-1-amine hydrochloride

Structural Information

Molecular Formula
C14H19N
SMILES
CCCC1=CC=C(C=C1)C23CC(C2)(C3)N
InChI
InChI=1S/C14H19N/c1-2-3-11-4-6-12(7-5-11)13-8-14(15,9-13)10-13/h4-7H,2-3,8-10,15H2,1H3
InChIKey
DJURDEIRJDVGOV-UHFFFAOYSA-N
Compound name
3-(4-propylphenyl)bicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.159026 164.1
[M+Na]+ 224.140968 168.3
[M-H]- 200.144474 169.3
[M+NH4]+ 219.185573 169.5
[M+K]+ 240.114908 172.2
[M+H-H2O]+ 184.149010 149.3
[M+HCOO]- 246.149951 177.6
[M+CH3COO]- 260.165601 215.4
[M+Na-2H]- 222.126416 169.5
[M]+ 201.15120142 187.6
[M]- 201.15229858 187.6
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.