CID 10656920

220247-69-8

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(=O)C1=CC2=C(CCNC2)C=C1
InChI
InChI=1S/C11H13NO2/c1-14-11(13)9-3-2-8-4-5-12-7-10(8)6-9/h2-3,6,12H,4-5,7H2,1H3
InChIKey
BTRHEGJEBOGNAU-UHFFFAOYSA-N
Compound name
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

160
Patents

191.09464 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.3
[M+Na]+ 214.08386 153.4
[M+NH4]+ 209.12846 149.7
[M+K]+ 230.05780 147.2
[M-H]- 190.08736 142.7
[M+Na-2H]- 212.06931 146.6
[M]+ 191.09409 143.2
[M]- 191.09519 143.2
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