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]+ 201.112136 142.0
[M+Na]+ 223.094078 149.2
[M-H]- 199.097584 145.0
[M+NH4]+ 218.138683 163.2
[M+K]+ 239.068018 149.6
[M+H-H2O]+ 183.102120 138.7
[M+HCOO]- 245.103061 160.9
[M+CH3COO]- 259.118711 182.6
[M+Na-2H]- 221.079526 144.0
[M]+ 200.10431142 143.1
[M]- 200.10540858 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.