CID 24138

2-amyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C14H21N
SMILES
CCCCCN1CCC2=CC=CC=C2C1
InChI
InChI=1S/C14H21N/c1-2-3-6-10-15-11-9-13-7-4-5-8-14(13)12-15/h4-5,7-8H,2-3,6,9-12H2,1H3
InChIKey
KNTSMNQVUFQHSW-UHFFFAOYSA-N
Compound name
2-pentyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

203.1674 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 148.5
[M+Na]+ 226.15662 154.0
[M-H]- 202.16012 150.4
[M+NH4]+ 221.20122 167.3
[M+K]+ 242.13056 150.4
[M+H-H2O]+ 186.16466 141.0
[M+HCOO]- 248.16560 167.0
[M+CH3COO]- 262.18125 188.3
[M+Na-2H]- 224.14207 154.5
[M]+ 203.16685 146.8
[M]- 203.16795 146.8
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

patents stripe