CID 64225239

7-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-1-one

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CNC(=O)C2=C1C=CC(=C2)CO
InChI
InChI=1S/C10H11NO2/c12-6-7-1-2-8-3-4-11-10(13)9(8)5-7/h1-2,5,12H,3-4,6H2,(H,11,13)
InChIKey
UTGIFVPKSIPPEW-UHFFFAOYSA-N
Compound name
7-(hydroxymethyl)-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

177.07898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 136.1
[M+Na]+ 200.068198 143.8
[M-H]- 176.071704 136.5
[M+NH4]+ 195.112803 154.8
[M+K]+ 216.042138 139.8
[M+H-H2O]+ 160.076240 130.2
[M+HCOO]- 222.077181 153.7
[M+CH3COO]- 236.092831 175.4
[M+Na-2H]- 198.053646 142.8
[M]+ 177.07843142 132.1
[M]- 177.07952858 132.1
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

patents stripe