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

literature stripe

Patent stripe

patents stripe