CID 155802559

Chebi:167492

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1[C@H](NCC2=C1C=CC(=C2O)O)C(=O)O
InChI
InChI=1S/C10H11NO4/c12-8-2-1-5-3-7(10(14)15)11-4-6(5)9(8)13/h1-2,7,11-13H,3-4H2,(H,14,15)/t7-/m0/s1
InChIKey
HFMTZGXVYGDMEC-ZETCQYMHSA-N
Compound name
(3S)-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.1
[M+Na]+ 232.05802 150.2
[M-H]- 208.06152 141.0
[M+NH4]+ 227.10262 159.0
[M+K]+ 248.03196 146.3
[M+H-H2O]+ 192.06606 137.6
[M+HCOO]- 254.06700 156.9
[M+CH3COO]- 268.08265 177.4
[M+Na-2H]- 230.04347 146.9
[M]+ 209.06825 138.1
[M]- 209.06935 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.