CID 2826771

35690-67-6

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1CC2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C10H11NO/c1-7-6-8-4-2-3-5-9(8)10(12)11-7/h2-5,7H,6H2,1H3,(H,11,12)
InChIKey
BWWCBNZSMWMIKH-UHFFFAOYSA-N
Compound name
3-methyl-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

35
Patents

161.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 133.2
[M+Na]+ 184.07328 146.7
[M+NH4]+ 179.11788 142.5
[M+K]+ 200.04722 139.6
[M-H]- 160.07678 135.4
[M+Na-2H]- 182.05873 139.4
[M]+ 161.08351 135.7
[M]- 161.08461 135.7
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