CID 59524407

1246546-35-9

Structural Information

Molecular Formula
C11H13NO3
SMILES
COC(=O)[C@H]1CC2=C(CN1)C=C(C=C2)O
InChI
InChI=1S/C11H13NO3/c1-15-11(14)10-5-7-2-3-9(13)4-8(7)6-12-10/h2-4,10,12-13H,5-6H2,1H3/t10-/m1/s1
InChIKey
JHAHRGPSCUPBIB-SNVBAGLBSA-N
Compound name
methyl (3R)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

207.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.0
[M+Na]+ 230.07876 150.9
[M-H]- 206.08226 144.3
[M+NH4]+ 225.12336 161.3
[M+K]+ 246.05270 147.8
[M+H-H2O]+ 190.08680 137.8
[M+HCOO]- 252.08774 160.4
[M+CH3COO]- 266.10339 180.9
[M+Na-2H]- 228.06421 149.0
[M]+ 207.08899 141.1
[M]- 207.09009 141.1
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

patents stripe