CID 85782882

2-[(tert-butoxy)carbonyl]oxolane-2-carboxylic acid

Structural Information

Molecular Formula
C10H16O5
SMILES
CC(C)(C)OC(=O)C1(CCCO1)C(=O)O
InChI
InChI=1S/C10H16O5/c1-9(2,3)15-8(13)10(7(11)12)5-4-6-14-10/h4-6H2,1-3H3,(H,11,12)
InChIKey
YIUZYFQVCIUUPQ-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.09978 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.107056 146.1
[M+Na]+ 239.088998 151.8
[M-H]- 215.092504 148.7
[M+NH4]+ 234.133603 166.1
[M+K]+ 255.062938 153.3
[M+H-H2O]+ 199.097040 142.8
[M+HCOO]- 261.097981 163.7
[M+CH3COO]- 275.113631 181.3
[M+Na-2H]- 237.074446 150.5
[M]+ 216.09923142 147.3
[M]- 216.10032858 147.3
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.