CID 212059

23842-54-8

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1C(C2=C(C=CC(=C2)O)C(N1)C(=O)O)O
InChI
InChI=1S/C10H11NO4/c12-5-1-2-6-7(3-5)8(13)4-11-9(6)10(14)15/h1-3,8-9,11-13H,4H2,(H,14,15)
InChIKey
MEIKIYLBAAEQJC-UHFFFAOYSA-N
Compound name
4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 143.1
[M+Na]+ 232.058018 150.2
[M-H]- 208.061524 141.0
[M+NH4]+ 227.102623 159.0
[M+K]+ 248.031958 146.3
[M+H-H2O]+ 192.066060 137.6
[M+HCOO]- 254.067001 156.9
[M+CH3COO]- 268.082651 177.4
[M+Na-2H]- 230.043466 146.9
[M]+ 209.06825142 138.1
[M]- 209.06934858 138.1
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

No patent data available for this compound.