CID 228085

4-methyl-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C9H7NO2
SMILES
CC1=C2C(=CC=C1)C(=O)NC2=O
InChI
InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)9(12)10-8(6)11/h2-4H,1H3,(H,10,11,12)
InChIKey
ABCGRFHYOYXEJV-UHFFFAOYSA-N
Compound name
4-methylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

888
Patents

161.04768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 129.9
[M+Na]+ 184.03690 140.6
[M-H]- 160.04040 132.6
[M+NH4]+ 179.08150 152.1
[M+K]+ 200.01084 137.1
[M+H-H2O]+ 144.04494 124.7
[M+HCOO]- 206.04588 151.7
[M+CH3COO]- 220.06153 174.8
[M+Na-2H]- 182.02235 135.3
[M]+ 161.04713 129.2
[M]- 161.04823 129.2
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