CID 20444907

1227465-60-2

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=CC2=C(C=C1N)C(=O)NC2=O
InChI
InChI=1S/C9H8N2O2/c1-4-2-5-6(3-7(4)10)9(13)11-8(5)12/h2-3H,10H2,1H3,(H,11,12,13)
InChIKey
LPZKZQICLYRDON-UHFFFAOYSA-N
Compound name
5-amino-6-methylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

176.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 134.3
[M+Na]+ 199.04780 145.0
[M-H]- 175.05130 136.8
[M+NH4]+ 194.09240 155.5
[M+K]+ 215.02174 141.0
[M+H-H2O]+ 159.05584 129.0
[M+HCOO]- 221.05678 156.4
[M+CH3COO]- 235.07243 180.5
[M+Na-2H]- 197.03325 138.4
[M]+ 176.05803 132.3
[M]- 176.05913 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe