CID 84686652

Methyl 8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxylate

Structural Information

Molecular Formula
C12H15NO3
SMILES
COC1=C2CNCCC2=C(C=C1)C(=O)OC
InChI
InChI=1S/C12H15NO3/c1-15-11-4-3-9(12(14)16-2)8-5-6-13-7-10(8)11/h3-4,13H,5-7H2,1-2H3
InChIKey
LAKLPKQNZPKGTE-UHFFFAOYSA-N
Compound name
methyl 8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 148.1
[M+Na]+ 244.094418 154.9
[M-H]- 220.097924 149.6
[M+NH4]+ 239.139023 165.6
[M+K]+ 260.068358 152.5
[M+H-H2O]+ 204.102460 141.3
[M+HCOO]- 266.103401 165.7
[M+CH3COO]- 280.119051 186.3
[M+Na-2H]- 242.079866 153.0
[M]+ 221.10465142 147.3
[M]- 221.10574858 147.3
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.