CID 20586615

1225521-38-9

Structural Information

Molecular Formula
C11H10O3
SMILES
CC1=CC=C(C=C1)C2CC(=O)OC2=O
InChI
InChI=1S/C11H10O3/c1-7-2-4-8(5-3-7)9-6-10(12)14-11(9)13/h2-5,9H,6H2,1H3
InChIKey
WDDSEOFVRDWKOW-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

190.06299 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 136.5
[M+Na]+ 213.05221 145.8
[M-H]- 189.05571 144.6
[M+NH4]+ 208.09681 157.0
[M+K]+ 229.02615 144.6
[M+H-H2O]+ 173.06025 131.2
[M+HCOO]- 235.06119 160.1
[M+CH3COO]- 249.07684 181.5
[M+Na-2H]- 211.03766 140.9
[M]+ 190.06244 137.3
[M]- 190.06354 137.3
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