CID 75996

1h-isoindole-1,3(2h)-dione, 2-methyl-4-(methylamino)-

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CNC1=CC=CC2=C1C(=O)N(C2=O)C
InChI
InChI=1S/C10H10N2O2/c1-11-7-5-3-4-6-8(7)10(14)12(2)9(6)13/h3-5,11H,1-2H3
InChIKey
SMGQXSVQVAPSKE-UHFFFAOYSA-N
Compound name
2-methyl-4-(methylamino)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

190.07423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 137.5
[M+Na]+ 213.06345 148.2
[M-H]- 189.06695 141.8
[M+NH4]+ 208.10805 159.2
[M+K]+ 229.03739 145.3
[M+H-H2O]+ 173.07149 131.8
[M+HCOO]- 235.07243 161.5
[M+CH3COO]- 249.08808 186.6
[M+Na-2H]- 211.04890 142.7
[M]+ 190.07368 138.8
[M]- 190.07478 138.8
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

No patent data available for this compound.