CID 466114

132725-65-6

Structural Information

Molecular Formula
C16H17N
SMILES
C1CC(C2=C(C1)C=NC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-2-5-13(6-3-1)11-14-7-4-8-15-12-17-10-9-16(14)15/h1-3,5-6,9-10,12,14H,4,7-8,11H2
InChIKey
ISGLYCNQWZCTCK-UHFFFAOYSA-N
Compound name
5-benzyl-5,6,7,8-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.1361 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 150.7
[M+Na]+ 246.12532 156.7
[M-H]- 222.12882 155.9
[M+NH4]+ 241.16992 168.1
[M+K]+ 262.09926 151.7
[M+H-H2O]+ 206.13336 141.9
[M+HCOO]- 268.13430 170.0
[M+CH3COO]- 282.14995 162.2
[M+Na-2H]- 244.11077 158.1
[M]+ 223.13555 147.0
[M]- 223.13665 147.0
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.