CID 122155371

4-[2-(tert-butoxy)-2-oxoethyl]oxane-4-carboxylic acid

Structural Information

Molecular Formula
C12H20O5
SMILES
CC(C)(C)OC(=O)CC1(CCOCC1)C(=O)O
InChI
InChI=1S/C12H20O5/c1-11(2,3)17-9(13)8-12(10(14)15)4-6-16-7-5-12/h4-8H2,1-3H3,(H,14,15)
InChIKey
QACCOGYLZTWYBC-UHFFFAOYSA-N
Compound name
4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

244.13107 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13835 154.9
[M+Na]+ 267.12029 162.2
[M+NH4]+ 262.16489 161.6
[M+K]+ 283.09423 158.4
[M-H]- 243.12379 154.3
[M+Na-2H]- 265.10574 157.6
[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

patents stripe