CID 12099062

5,6,7,8-tetrahydroisoquinolin-5-amine

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CC(C2=C(C1)C=NC=C2)N
InChI
InChI=1S/C9H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h4-6,9H,1-3,10H2
InChIKey
YURMVGXJVVCSMU-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroisoquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

148.10005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 129.8
[M+Na]+ 171.08927 142.6
[M+NH4]+ 166.13387 139.9
[M+K]+ 187.06321 135.4
[M-H]- 147.09277 133.4
[M+Na-2H]- 169.07472 137.0
[M]+ 148.09950 132.6
[M]- 148.10060 132.6
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