CID 10081671

156545-91-4

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)C[C@@H]1C2=CC=CC=C2CCN1
InChI
InChI=1S/C12H15NO2/c1-15-12(14)8-11-10-5-3-2-4-9(10)6-7-13-11/h2-5,11,13H,6-8H2,1H3/t11-/m1/s1
InChIKey
ZYKBDGYQTKXXTM-LLVKDONJSA-N
Compound name
methyl 2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

205.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 145.3
[M+Na]+ 228.099498 151.3
[M-H]- 204.103004 146.4
[M+NH4]+ 223.144103 163.2
[M+K]+ 244.073438 148.2
[M+H-H2O]+ 188.107540 138.5
[M+HCOO]- 250.108481 162.7
[M+CH3COO]- 264.124131 183.0
[M+Na-2H]- 226.084946 150.9
[M]+ 205.10973142 142.7
[M]- 205.11082858 142.7
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.