CID 129989004

Dtxsid801366126

Structural Information

Molecular Formula
C9H14O5
SMILES
CCC1C(C(=O)OC1(C)C(=O)O)(C)O
InChI
InChI=1S/C9H14O5/c1-4-5-8(2,13)7(12)14-9(5,3)6(10)11/h5,13H,4H2,1-3H3,(H,10,11)
InChIKey
JSTYVUJTUKKNNV-UHFFFAOYSA-N
Compound name
3-ethyl-4-hydroxy-2,4-dimethyl-5-oxooxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.08412 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.091396 136.8
[M+Na]+ 225.073338 145.9
[M-H]- 201.076844 139.1
[M+NH4]+ 220.117943 159.4
[M+K]+ 241.047278 145.9
[M+H-H2O]+ 185.081380 135.1
[M+HCOO]- 247.082321 155.6
[M+CH3COO]- 261.097971 179.5
[M+Na-2H]- 223.058786 141.3
[M]+ 202.08357142 138.7
[M]- 202.08466858 138.7
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.