CID 16217499

5-amino-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CNCC2=C1C(=CC=C2)N
InChI
InChI=1S/C9H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6,10H2
InChIKey
ZSHCQIHYOFRGNI-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroisoquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

265
Patents

148.10005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 129.7
[M+Na]+ 171.089268 136.3
[M-H]- 147.092774 130.7
[M+NH4]+ 166.133873 149.5
[M+K]+ 187.063208 132.5
[M+H-H2O]+ 131.097310 123.5
[M+HCOO]- 193.098251 149.0
[M+CH3COO]- 207.113901 142.0
[M+Na-2H]- 169.074716 137.5
[M]+ 148.09950142 122.9
[M]- 148.10059858 122.9
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