CID 11286623

2-methyl-1,2,3,4-tetrahydroisoquinolin-3-one

Structural Information

Molecular Formula
C10H11NO
SMILES
CN1CC2=CC=CC=C2CC1=O
InChI
InChI=1S/C10H11NO/c1-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-5H,6-7H2,1H3
InChIKey
NVQVKXJHCXPXIL-UHFFFAOYSA-N
Compound name
2-methyl-1,4-dihydroisoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

161.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 131.6
[M+Na]+ 184.07328 140.2
[M-H]- 160.07678 134.8
[M+NH4]+ 179.11788 152.4
[M+K]+ 200.04722 137.5
[M+H-H2O]+ 144.08132 125.3
[M+HCOO]- 206.08226 152.0
[M+CH3COO]- 220.09791 178.5
[M+Na-2H]- 182.05873 139.3
[M]+ 161.08351 129.8
[M]- 161.08461 129.8
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