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]+ 190.15903 144.2
[M+Na]+ 212.14097 149.9
[M-H]- 188.14447 145.0
[M+NH4]+ 207.18557 163.0
[M+K]+ 228.11491 145.5
[M+H-H2O]+ 172.14901 137.4
[M+HCOO]- 234.14995 161.7
[M+CH3COO]- 248.16560 182.6
[M+Na-2H]- 210.12642 150.4
[M]+ 189.15120 140.4
[M]- 189.15230 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.