CID 16769566

2-hydroxy-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CN(CC2=CC=CC=C21)C(=O)CO
InChI
InChI=1S/C11H13NO2/c13-8-11(14)12-6-5-9-3-1-2-4-10(9)7-12/h1-4,13H,5-8H2
InChIKey
GAWPDYDIDUAIGZ-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.09464 Da
Monoisotopic Mass

0.6
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

literature stripe

Patent stripe

patents stripe