CID 3022115

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

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1C(C2=C(CN1)C=CC(=C2)O)O
InChI
InChI=1S/C9H11NO2/c11-7-2-1-6-4-10-5-9(12)8(6)3-7/h1-3,9-12H,4-5H2
InChIKey
LJRLBPHJWAJIOD-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroisoquinoline-4,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

165.07898 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.3
[M+Na]+ 188.06820 140.7
[M-H]- 164.07170 132.5
[M+NH4]+ 183.11280 151.8
[M+K]+ 204.04214 136.7
[M+H-H2O]+ 148.07624 127.8
[M+HCOO]- 210.07718 149.5
[M+CH3COO]- 224.09283 170.8
[M+Na-2H]- 186.05365 140.1
[M]+ 165.07843 127.8
[M]- 165.07953 127.8
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.