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 154.5
[M+Na]+ 267.12029 158.6
[M-H]- 243.12379 156.5
[M+NH4]+ 262.16489 171.6
[M+K]+ 283.09423 159.9
[M+H-H2O]+ 227.12833 150.2
[M+HCOO]- 289.12927 169.3
[M+CH3COO]- 303.14492 187.8
[M+Na-2H]- 265.10574 158.9
[M]+ 244.13052 154.4
[M]- 244.13162 154.4
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