CID 91129745

1,5-dihydroisoquinoline

Structural Information

Molecular Formula
C9H9N
SMILES
C1C=CC=C2C1=CC=NC2
InChI
InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-2,4-6H,3,7H2
InChIKey
ZLNLWAWZTWKMNN-UHFFFAOYSA-N
Compound name
1,5-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

131.0735 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08078 124.6
[M+Na]+ 154.06272 139.6
[M+NH4]+ 149.10732 135.4
[M+K]+ 170.03666 131.3
[M-H]- 130.06622 128.3
[M+Na-2H]- 152.04817 133.8
[M]+ 131.07295 128.0
[M]- 131.07405 128.0
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

patents stripe