CID 29947277

185057-00-5

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(=O)C1=CC2=C(CNCC2)C=C1
InChI
InChI=1S/C11H13NO2/c1-14-11(13)9-2-3-10-7-12-5-4-8(10)6-9/h2-3,6,12H,4-5,7H2,1H3
InChIKey
QFGFDECCVRJKHK-UHFFFAOYSA-N
Compound name
methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
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

No literature data available for this compound.

Patent stripe

patents stripe