CID 461662

3-(1,3-dioxoisoindolin-2-yl)propanamide

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)N
InChI
InChI=1S/C11H10N2O3/c12-9(14)5-6-13-10(15)7-3-1-2-4-8(7)11(13)16/h1-4H,5-6H2,(H2,12,14)
InChIKey
DVPXSKBBAJCTJS-UHFFFAOYSA-N
Compound name
3-(1,3-dioxoisoindol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

71
Patents

218.06914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 145.0
[M+Na]+ 241.05836 154.1
[M-H]- 217.06186 148.2
[M+NH4]+ 236.10296 164.6
[M+K]+ 257.03230 151.0
[M+H-H2O]+ 201.06640 138.7
[M+HCOO]- 263.06734 167.3
[M+CH3COO]- 277.08299 190.0
[M+Na-2H]- 239.04381 148.1
[M]+ 218.06859 145.2
[M]- 218.06969 145.2
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.