CID 349436

2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione

Structural Information

Molecular Formula
C10H9NO2
SMILES
CN1C(=O)CC2=CC=CC=C2C1=O
InChI
InChI=1S/C10H9NO2/c1-11-9(12)6-7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3
InChIKey
JNMUQWIITYQZSA-UHFFFAOYSA-N
Compound name
2-methyl-4H-isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

110
Patents

175.06332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.1
[M+Na]+ 198.05254 142.8
[M-H]- 174.05604 136.7
[M+NH4]+ 193.09714 153.5
[M+K]+ 214.02648 140.1
[M+H-H2O]+ 158.06058 126.9
[M+HCOO]- 220.06152 153.9
[M+CH3COO]- 234.07717 180.9
[M+Na-2H]- 196.03799 140.1
[M]+ 175.06277 132.5
[M]- 175.06387 132.5
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