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

4
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 137.4
[M+Na]+ 202.08386 145.7
[M-H]- 178.08736 138.2
[M+NH4]+ 197.12846 156.4
[M+K]+ 218.05780 142.4
[M+H-H2O]+ 162.09190 131.6
[M+HCOO]- 224.09284 154.8
[M+CH3COO]- 238.10849 177.5
[M+Na-2H]- 200.06931 143.3
[M]+ 179.09409 134.5
[M]- 179.09519 134.5
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