CID 3069969

85588-50-7

Structural Information

Molecular Formula
C11H14N2O
SMILES
CN(C)N1CC2=CC=CC=C2CC1=O
InChI
InChI=1S/C11H14N2O/c1-12(2)13-8-10-6-4-3-5-9(10)7-11(13)14/h3-6H,7-8H2,1-2H3
InChIKey
GSFRCEQRUBJNBC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1,4-dihydroisoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.11061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 140.0
[M+Na]+ 213.099828 147.3
[M-H]- 189.103334 144.3
[M+NH4]+ 208.144433 159.9
[M+K]+ 229.073768 145.7
[M+H-H2O]+ 173.107870 132.8
[M+HCOO]- 235.108811 161.5
[M+CH3COO]- 249.124461 189.8
[M+Na-2H]- 211.085276 146.7
[M]+ 190.11006142 139.0
[M]- 190.11115858 139.0
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