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

literature stripe

Patent stripe

patents stripe