CID 63940331

4-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline dihydrochloride

Structural Information

Molecular Formula
C14H14N2
SMILES
C1CNCC=C1C2=CN=CC3=CC=CC=C32
InChI
InChI=1S/C14H14N2/c1-2-4-13-12(3-1)9-16-10-14(13)11-5-7-15-8-6-11/h1-5,9-10,15H,6-8H2
InChIKey
RTMAOTZUQASTNC-UHFFFAOYSA-N
Compound name
4-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12297 146.7
[M+Na]+ 233.10491 153.3
[M-H]- 209.10841 149.4
[M+NH4]+ 228.14951 162.5
[M+K]+ 249.07885 147.5
[M+H-H2O]+ 193.11295 137.7
[M+HCOO]- 255.11389 163.8
[M+CH3COO]- 269.12954 157.6
[M+Na-2H]- 231.09036 154.8
[M]+ 210.11514 141.1
[M]- 210.11624 141.1
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.