CID 119010

5,6,7,8-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H11N
SMILES
C1CCC2=C(C1)C=CN=C2
InChI
InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2
InChIKey
HTMGQIXFZMZZKD-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10478
Patents

133.08914 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09642 125.2
[M+Na]+ 156.07836 132.0
[M-H]- 132.08186 127.8
[M+NH4]+ 151.12296 146.6
[M+K]+ 172.05230 129.7
[M+H-H2O]+ 116.08640 118.7
[M+HCOO]- 178.08734 145.6
[M+CH3COO]- 192.10299 138.6
[M+Na-2H]- 154.06381 134.8
[M]+ 133.08859 121.5
[M]- 133.08969 121.5
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