CID 124560081

Methyl (3s)-6-fluoro-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H12FNO2
SMILES
COC(=O)[C@@H]1CC2=C(CN1)C=CC(=C2)F
InChI
InChI=1S/C11H12FNO2/c1-15-11(14)10-5-8-4-9(12)3-2-7(8)6-13-10/h2-4,10,13H,5-6H2,1H3/t10-/m0/s1
InChIKey
UXDXURSGQKKSJW-JTQLQIEISA-N
Compound name
methyl (3S)-6-fluoro-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0852 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09248 145.1
[M+Na]+ 232.07442 156.5
[M+NH4]+ 227.11902 152.6
[M+K]+ 248.04836 150.5
[M-H]- 208.07792 144.9
[M+Na-2H]- 230.05987 149.3
[M]+ 209.08465 146.4
[M]- 209.08575 146.4
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.