CID 137838044

2089277-53-0

Structural Information

Molecular Formula
C12H20O5
SMILES
CC(C)(C)OC(=O)CCC1CC(CO1)C(=O)O
InChI
InChI=1S/C12H20O5/c1-12(2,3)17-10(13)5-4-9-6-8(7-16-9)11(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKey
LIIMUSRCFSVPAE-UHFFFAOYSA-N
Compound name
5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.13107 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13835 155.5
[M+Na]+ 267.12029 161.8
[M+NH4]+ 262.16489 160.4
[M+K]+ 283.09423 162.0
[M-H]- 243.12379 154.1
[M+Na-2H]- 265.10574 155.2
[M]+ 244.13052 155.5
[M]- 244.13162 155.5
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.