CID 82279775

6-butyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C13H19N
SMILES
CCCCC1=CC2=C(CNCC2)C=C1
InChI
InChI=1S/C13H19N/c1-2-3-4-11-5-6-13-10-14-8-7-12(13)9-11/h5-6,9,14H,2-4,7-8,10H2,1H3
InChIKey
AMECYUFVIFWRCQ-UHFFFAOYSA-N
Compound name
6-butyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 144.2
[M+Na]+ 212.140968 149.9
[M-H]- 188.144474 145.0
[M+NH4]+ 207.185573 163.0
[M+K]+ 228.114908 145.5
[M+H-H2O]+ 172.149010 137.4
[M+HCOO]- 234.149951 161.7
[M+CH3COO]- 248.165601 182.6
[M+Na-2H]- 210.126416 150.4
[M]+ 189.15120142 140.4
[M]- 189.15229858 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.