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]+ 233.11722 149.1
[M+Na]+ 255.09916 157.8
[M-H]- 231.10266 157.2
[M+NH4]+ 250.14376 169.9
[M+K]+ 271.07310 156.6
[M+H-H2O]+ 215.10720 144.2
[M+HCOO]- 277.10814 170.7
[M+CH3COO]- 291.12379 190.9
[M+Na-2H]- 253.08461 152.0
[M]+ 232.10939 150.7
[M]- 232.11049 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.