CID 10487111

3-(2-methylpropyl)oxolane-2,5-dione

Structural Information

Molecular Formula
C8H12O3
SMILES
CC(C)CC1CC(=O)OC1=O
InChI
InChI=1S/C8H12O3/c1-5(2)3-6-4-7(9)11-8(6)10/h5-6H,3-4H2,1-2H3
InChIKey
RMYDZBMRAPLPAL-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1018
Patents

156.07864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 130.9
[M+Na]+ 179.06786 138.8
[M-H]- 155.07136 135.3
[M+NH4]+ 174.11246 152.6
[M+K]+ 195.04180 139.3
[M+H-H2O]+ 139.07590 126.5
[M+HCOO]- 201.07684 152.7
[M+CH3COO]- 215.09249 176.6
[M+Na-2H]- 177.05331 134.1
[M]+ 156.07809 131.9
[M]- 156.07919 131.9
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