CID 14271895

120289-22-7

Structural Information

Molecular Formula
C8H14O5
SMILES
CC(C)(C)OC(=O)COCC(=O)O
InChI
InChI=1S/C8H14O5/c1-8(2,3)13-7(11)5-12-4-6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKey
KFROMFPUCBQIKX-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

190.08412 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09140 140.6
[M+Na]+ 213.07334 147.9
[M+NH4]+ 208.11794 145.4
[M+K]+ 229.04728 146.2
[M-H]- 189.07684 136.4
[M+Na-2H]- 211.05879 141.2
[M]+ 190.08357 139.9
[M]- 190.08467 139.9
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

patents stripe