CID 148140

129075-56-5

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1=C2CCNC(=O)C2=CC=C1
InChI
InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)
InChIKey
RLLZPXDJYADIEU-UHFFFAOYSA-N
Compound name
5-methyl-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

353
Patents

161.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 132.4
[M+Na]+ 184.07328 140.5
[M-H]- 160.07678 134.2
[M+NH4]+ 179.11788 152.4
[M+K]+ 200.04722 136.9
[M+H-H2O]+ 144.08132 126.3
[M+HCOO]- 206.08226 151.3
[M+CH3COO]- 220.09791 175.9
[M+Na-2H]- 182.05873 139.5
[M]+ 161.08351 128.7
[M]- 161.08461 128.7
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