CID 43134844

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

Structural Information

Molecular Formula
C9H14O3
SMILES
CC(C)CC1(CC(=O)OC1=O)C
InChI
InChI=1S/C9H14O3/c1-6(2)4-9(3)5-7(10)12-8(9)11/h6H,4-5H2,1-3H3
InChIKey
STCQBUQMHAHLHG-UHFFFAOYSA-N
Compound name
3-methyl-3-(2-methylpropyl)oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 133.2
[M+Na]+ 193.08352 141.6
[M-H]- 169.08702 137.8
[M+NH4]+ 188.12812 156.4
[M+K]+ 209.05746 142.1
[M+H-H2O]+ 153.09156 129.8
[M+HCOO]- 215.09250 154.7
[M+CH3COO]- 229.10815 179.1
[M+Na-2H]- 191.06897 137.3
[M]+ 170.09375 135.0
[M]- 170.09485 135.0
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.