CID 129989072

2-methyl-4-(2-methylpropyl)-5-oxooxolane-2-carboxylic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
CC(C)CC1CC(OC1=O)(C)C(=O)O
InChI
InChI=1S/C10H16O4/c1-6(2)4-7-5-10(3,9(12)13)14-8(7)11/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKey
JXXZNVBUQDPAPM-UHFFFAOYSA-N
Compound name
2-methyl-4-(2-methylpropyl)-5-oxooxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 144.1
[M+Na]+ 223.09408 152.2
[M+NH4]+ 218.13868 151.6
[M+K]+ 239.06802 149.5
[M-H]- 199.09758 144.0
[M+Na-2H]- 221.07953 146.3
[M]+ 200.10431 145.0
[M]- 200.10541 145.0
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.