CID 3830286

3-benzyloxolane-2,5-dione

Structural Information

Molecular Formula
C11H10O3
SMILES
C1C(C(=O)OC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C11H10O3/c12-10-7-9(11(13)14-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
OOEHLTSDDZKTQB-UHFFFAOYSA-N
Compound name
3-benzyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

190.06299 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 137.2
[M+Na]+ 213.052208 145.5
[M-H]- 189.055714 144.9
[M+NH4]+ 208.096813 157.3
[M+K]+ 229.026148 144.3
[M+H-H2O]+ 173.060250 131.5
[M+HCOO]- 235.061191 160.7
[M+CH3COO]- 249.076841 180.3
[M+Na-2H]- 211.037656 142.1
[M]+ 190.06244142 137.5
[M]- 190.06353858 137.5
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