CID 412824

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

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(C)C1C2=CC(=C(C=C2CCN1)O)O
InChI
InChI=1S/C12H17NO2/c1-7(2)12-9-6-11(15)10(14)5-8(9)3-4-13-12/h5-7,12-15H,3-4H2,1-2H3
InChIKey
SDENKPJEGZGRQS-UHFFFAOYSA-N
Compound name
1-propan-2-yl-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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.3
[M+Na]+ 230.11515 154.0
[M-H]- 206.11865 146.3
[M+NH4]+ 225.15975 164.3
[M+K]+ 246.08909 149.8
[M+H-H2O]+ 190.12319 141.6
[M+HCOO]- 252.12413 161.4
[M+CH3COO]- 266.13978 182.0
[M+Na-2H]- 228.10060 150.4
[M]+ 207.12538 142.6
[M]- 207.12648 142.6
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.