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

883
Patents

156.07864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 130.9
[M+Na]+ 179.067858 138.8
[M-H]- 155.071364 135.3
[M+NH4]+ 174.112463 152.6
[M+K]+ 195.041798 139.3
[M+H-H2O]+ 139.075900 126.5
[M+HCOO]- 201.076841 152.7
[M+CH3COO]- 215.092491 176.6
[M+Na-2H]- 177.053306 134.1
[M]+ 156.07809142 131.9
[M]- 156.07918858 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