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 142.0
[M+Na]+ 223.09408 149.2
[M-H]- 199.09758 145.0
[M+NH4]+ 218.13868 163.2
[M+K]+ 239.06802 149.6
[M+H-H2O]+ 183.10212 138.7
[M+HCOO]- 245.10306 160.9
[M+CH3COO]- 259.11871 182.6
[M+Na-2H]- 221.07953 144.0
[M]+ 200.10431 143.1
[M]- 200.10541 143.1
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.