CID 43134884

3-methyl-3-[4-(propan-2-yl)phenyl]oxolane-2,5-dione

Structural Information

Molecular Formula
C14H16O3
SMILES
CC(C)C1=CC=C(C=C1)C2(CC(=O)OC2=O)C
InChI
InChI=1S/C14H16O3/c1-9(2)10-4-6-11(7-5-10)14(3)8-12(15)17-13(14)16/h4-7,9H,8H2,1-3H3
InChIKey
OVEOPWLAPTZYDG-UHFFFAOYSA-N
Compound name
3-methyl-3-(4-propan-2-ylphenyl)oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10994 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.117216 149.1
[M+Na]+ 255.099158 157.8
[M-H]- 231.102664 157.2
[M+NH4]+ 250.143763 169.9
[M+K]+ 271.073098 156.6
[M+H-H2O]+ 215.107200 144.2
[M+HCOO]- 277.108141 170.7
[M+CH3COO]- 291.123791 190.9
[M+Na-2H]- 253.084606 152.0
[M]+ 232.10939142 150.7
[M]- 232.11048858 150.7
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

No patent data available for this compound.