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

4
Patents

230.11542 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.122696 149.9
[M+Na]+ 253.104638 154.4
[M-H]- 229.108144 152.0
[M+NH4]+ 248.149243 167.5
[M+K]+ 269.078578 156.0
[M+H-H2O]+ 213.112680 145.7
[M+HCOO]- 275.113621 165.0
[M+CH3COO]- 289.129271 184.8
[M+Na-2H]- 251.090086 154.8
[M]+ 230.11487142 149.5
[M]- 230.11596858 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