CID 131435622

2445786-09-2

Structural Information

Molecular Formula
C12H15NO3
SMILES
COC1=CC2=C(CNCC2)C(=C1)C(=O)OC
InChI
InChI=1S/C12H15NO3/c1-15-9-5-8-3-4-13-7-11(8)10(6-9)12(14)16-2/h5-6,13H,3-4,7H2,1-2H3
InChIKey
HFGXAXFTJSVTIT-UHFFFAOYSA-N
Compound name
methyl 6-methoxy-1,2,3,4-tetrahydroisoquinoline-8-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]+ 222.11248 148.5
[M+Na]+ 244.09442 160.3
[M+NH4]+ 239.13902 156.2
[M+K]+ 260.06836 154.6
[M-H]- 220.09792 149.4
[M+Na-2H]- 242.07987 152.9
[M]+ 221.10465 150.3
[M]- 221.10575 150.3
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.