CID 600596

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

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CN1C(=O)C2=C(C1=O)C(=CC=C2)N
InChI
InChI=1S/C9H8N2O2/c1-11-8(12)5-3-2-4-6(10)7(5)9(11)13/h2-4H,10H2,1H3
InChIKey
MQJSMQLGNZNTFD-UHFFFAOYSA-N
Compound name
4-amino-2-methylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

83
Patents

176.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 133.5
[M+Na]+ 199.047798 144.6
[M-H]- 175.051304 137.4
[M+NH4]+ 194.092403 155.5
[M+K]+ 215.021738 141.6
[M+H-H2O]+ 159.055840 128.0
[M+HCOO]- 221.056781 157.2
[M+CH3COO]- 235.072431 182.9
[M+Na-2H]- 197.033246 138.1
[M]+ 176.05803142 133.4
[M]- 176.05912858 133.4
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