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

0
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

No patent data available for this compound.