CID 45539

2-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diol hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
CN1CCC2=C(C1)C=CC(=C2O)O
InChI
InChI=1S/C10H13NO2/c1-11-5-4-8-7(6-11)2-3-9(12)10(8)13/h2-3,12-13H,4-6H2,1H3
InChIKey
OJWVUZYUSCZEDC-UHFFFAOYSA-N
Compound name
2-methyl-3,4-dihydro-1H-isoquinoline-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

179.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 137.3
[M+Na]+ 202.08386 150.1
[M+NH4]+ 197.12846 145.9
[M+K]+ 218.05780 144.1
[M-H]- 178.08736 138.8
[M+Na-2H]- 200.06931 142.3
[M]+ 179.09409 139.4
[M]- 179.09519 139.4
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