CID 65314804

2-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C(CO)CO
InChI
InChI=1S/C11H11NO4/c13-5-7(6-14)12-10(15)8-3-1-2-4-9(8)11(12)16/h1-4,7,13-14H,5-6H2
InChIKey
NYNGWADTWJVQBE-UHFFFAOYSA-N
Compound name
2-(1,3-dihydroxypropan-2-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

221.0688 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 145.7
[M+Na]+ 244.05802 154.4
[M-H]- 220.06152 146.7
[M+NH4]+ 239.10262 164.5
[M+K]+ 260.03196 151.3
[M+H-H2O]+ 204.06606 140.2
[M+HCOO]- 266.06700 164.7
[M+CH3COO]- 280.08265 183.7
[M+Na-2H]- 242.04347 148.6
[M]+ 221.06825 146.2
[M]- 221.06935 146.2
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