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]+ 202.15903 164.1
[M+Na]+ 224.14097 168.3
[M-H]- 200.14447 169.3
[M+NH4]+ 219.18557 169.5
[M+K]+ 240.11491 172.2
[M+H-H2O]+ 184.14901 149.3
[M+HCOO]- 246.14995 177.6
[M+CH3COO]- 260.16560 215.4
[M+Na-2H]- 222.12642 169.5
[M]+ 201.15120 187.6
[M]- 201.15230 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.