CID 487614

1-propyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCCC1C2=CC(=C(C=C2CCN1)O)O
InChI
InChI=1S/C12H17NO2/c1-2-3-10-9-7-12(15)11(14)6-8(9)4-5-13-10/h6-7,10,13-15H,2-5H2,1H3
InChIKey
HOJHQMBGKJDJGS-UHFFFAOYSA-N
Compound name
1-propyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

207.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.2
[M+Na]+ 230.11515 154.2
[M-H]- 206.11865 146.1
[M+NH4]+ 225.15975 164.3
[M+K]+ 246.08909 149.4
[M+H-H2O]+ 190.12319 141.3
[M+HCOO]- 252.12413 162.3
[M+CH3COO]- 266.13978 181.1
[M+Na-2H]- 228.10060 151.5
[M]+ 207.12538 143.1
[M]- 207.12648 143.1
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