CID 23064391

2253632-30-1

Structural Information

Molecular Formula
C11H13NO3
SMILES
COC1=CC2=C(CNCC2C(=O)O)C=C1
InChI
InChI=1S/C11H13NO3/c1-15-8-3-2-7-5-12-6-10(11(13)14)9(7)4-8/h2-4,10,12H,5-6H2,1H3,(H,13,14)
InChIKey
DEQQHVDJIINRBK-UHFFFAOYSA-N
Compound name
6-methoxy-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.08954 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.3
[M+Na]+ 230.07876 155.7
[M+NH4]+ 225.12336 151.8
[M+K]+ 246.05270 150.6
[M-H]- 206.08226 144.7
[M+Na-2H]- 228.06421 148.3
[M]+ 207.08899 145.8
[M]- 207.09009 145.8
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