CID 2733173

128502-56-7

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1[C@H](NCC2=C1C=CC(=C2)O)C(=O)O
InChI
InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1
InChIKey
HIKCRLDSCSWXML-VIFPVBQESA-N
Compound name
(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

193.0739 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 139.8
[M+Na]+ 216.06312 146.6
[M-H]- 192.06662 138.8
[M+NH4]+ 211.10772 156.8
[M+K]+ 232.03706 142.8
[M+H-H2O]+ 176.07116 134.0
[M+HCOO]- 238.07210 154.9
[M+CH3COO]- 252.08775 176.2
[M+Na-2H]- 214.04857 144.8
[M]+ 193.07335 134.7
[M]- 193.07445 134.7
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