CID 12104842

2-(3-hydroxy-2-oxopropyl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C11H9NO4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)CO
InChI
InChI=1S/C11H9NO4/c13-6-7(14)5-12-10(15)8-3-1-2-4-9(8)11(12)16/h1-4,13H,5-6H2
InChIKey
XXLUQLNZGKMPSM-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-2-oxopropyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.05316 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.060436 143.8
[M+Na]+ 242.042378 153.2
[M-H]- 218.045884 146.2
[M+NH4]+ 237.086983 163.2
[M+K]+ 258.016318 150.3
[M+H-H2O]+ 202.050420 138.1
[M+HCOO]- 264.051361 164.5
[M+CH3COO]- 278.067011 185.3
[M+Na-2H]- 240.027826 147.1
[M]+ 219.05261142 145.4
[M]- 219.05370858 145.4
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

patents stripe