CID 3221095

1-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C14H14N2
SMILES
C1CNC(C2=CC=CC=C21)C3=CN=CC=C3
InChI
InChI=1S/C14H14N2/c1-2-6-13-11(4-1)7-9-16-14(13)12-5-3-8-15-10-12/h1-6,8,10,14,16H,7,9H2
InChIKey
PQUCZQQPRMLVLB-UHFFFAOYSA-N
Compound name
1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

210.11569 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12297 148.1
[M+Na]+ 233.10491 163.7
[M+NH4]+ 228.14951 158.0
[M+K]+ 249.07885 154.7
[M-H]- 209.10841 152.9
[M+Na-2H]- 231.09036 157.8
[M]+ 210.11514 151.8
[M]- 210.11624 151.8
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