CID 150922726

7-methoxy-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H13NO3
SMILES
COC1=CC2=C(C=C1)C(CNC2)C(=O)O
InChI
InChI=1S/C11H13NO3/c1-15-8-2-3-9-7(4-8)5-12-6-10(9)11(13)14/h2-4,10,12H,5-6H2,1H3,(H,13,14)
InChIKey
LEJFUOQLESARRA-UHFFFAOYSA-N
Compound name
7-methoxy-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 143.8
[M+Na]+ 230.07876 150.5
[M-H]- 206.08226 144.0
[M+NH4]+ 225.12336 161.0
[M+K]+ 246.05270 147.4
[M+H-H2O]+ 190.08680 137.5
[M+HCOO]- 252.08774 160.1
[M+CH3COO]- 266.10339 181.5
[M+Na-2H]- 228.06421 148.7
[M]+ 207.08899 140.9
[M]- 207.09009 140.9
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.