CID 3075739

3,4-dihydro-2(1h)-isoquinolineacetamide

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CN(CC2=CC=CC=C21)CC(=O)N
InChI
InChI=1S/C11H14N2O/c12-11(14)8-13-6-5-9-3-1-2-4-10(9)7-13/h1-4H,5-8H2,(H2,12,14)
InChIKey
BQRDVNDUCRMCNJ-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

190.11061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 141.1
[M+Na]+ 213.099828 147.1
[M-H]- 189.103334 143.1
[M+NH4]+ 208.144433 159.6
[M+K]+ 229.073768 144.1
[M+H-H2O]+ 173.107870 134.0
[M+HCOO]- 235.108811 160.5
[M+CH3COO]- 249.124461 185.4
[M+Na-2H]- 211.085276 147.0
[M]+ 190.11006142 136.9
[M]- 190.11115858 136.9
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