CID 69416822

4-[(tert-butoxy)carbonyl]oxane-4-carboxylic acid

Structural Information

Molecular Formula
C11H18O5
SMILES
CC(C)(C)OC(=O)C1(CCOCC1)C(=O)O
InChI
InChI=1S/C11H18O5/c1-10(2,3)16-9(14)11(8(12)13)4-6-15-7-5-11/h4-7H2,1-3H3,(H,12,13)
InChIKey
PNJCPUUNYFEPTA-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonyl]oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

230.11542 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12270 149.9
[M+Na]+ 253.10464 154.4
[M-H]- 229.10814 152.0
[M+NH4]+ 248.14924 167.5
[M+K]+ 269.07858 156.0
[M+H-H2O]+ 213.11268 145.7
[M+HCOO]- 275.11362 165.0
[M+CH3COO]- 289.12927 184.8
[M+Na-2H]- 251.09009 154.8
[M]+ 230.11487 149.5
[M]- 230.11597 149.5
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