CID 130015714

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

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1C(C2=CC=CC=C2C(=O)N1)CO
InChI
InChI=1S/C10H11NO2/c12-6-7-5-11-10(13)9-4-2-1-3-8(7)9/h1-4,7,12H,5-6H2,(H,11,13)
InChIKey
LNJOLFDIACSLIT-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 136.8
[M+Na]+ 200.06820 149.3
[M+NH4]+ 195.11280 145.2
[M+K]+ 216.04214 143.0
[M-H]- 176.07170 138.0
[M+Na-2H]- 198.05365 141.9
[M]+ 177.07843 138.7
[M]- 177.07953 138.7
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.