CID 363323

3-(2-methyl-1h-indol-3-yl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CC1=C(C2=CC=CC=C2N1)C3CC(=O)NC3=O
InChI
InChI=1S/C13H12N2O2/c1-7-12(9-6-11(16)15-13(9)17)8-4-2-3-5-10(8)14-7/h2-5,9,14H,6H2,1H3,(H,15,16,17)
InChIKey
WXYALNNGKUJFKN-UHFFFAOYSA-N
Compound name
3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

228.08987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.9
[M+Na]+ 251.07909 160.3
[M-H]- 227.08259 153.5
[M+NH4]+ 246.12369 168.9
[M+K]+ 267.05303 154.6
[M+H-H2O]+ 211.08713 143.5
[M+HCOO]- 273.08807 169.7
[M+CH3COO]- 287.10372 162.5
[M+Na-2H]- 249.06454 151.3
[M]+ 228.08932 148.1
[M]- 228.09042 148.1
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