CID 112495

62518-75-6

Structural Information

Molecular Formula
C8H12O3
SMILES
CCCC1C(C(=O)C(=O)O1)C
InChI
InChI=1S/C8H12O3/c1-3-4-6-5(2)7(9)8(10)11-6/h5-6H,3-4H2,1-2H3
InChIKey
NZOSBDYMPOYFNG-UHFFFAOYSA-N
Compound name
4-methyl-5-propyloxolane-2,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

156.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 129.6
[M+Na]+ 179.067858 138.6
[M-H]- 155.071364 134.2
[M+NH4]+ 174.112463 151.7
[M+K]+ 195.041798 138.7
[M+H-H2O]+ 139.075900 125.5
[M+HCOO]- 201.076841 152.4
[M+CH3COO]- 215.092491 176.9
[M+Na-2H]- 177.053306 133.4
[M]+ 156.07809142 131.7
[M]- 156.07918858 131.7
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

patents stripe