CID 125449067

Tert-butyl 4-(hydroxymethyl)oxane-4-carboxylate

Structural Information

Molecular Formula
C11H20O4
SMILES
CC(C)(C)OC(=O)C1(CCOCC1)CO
InChI
InChI=1S/C11H20O4/c1-10(2,3)15-9(13)11(8-12)4-6-14-7-5-11/h12H,4-8H2,1-3H3
InChIKey
XKSHQNCLBIGSME-UHFFFAOYSA-N
Compound name
tert-butyl 4-(hydroxymethyl)oxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.13615 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14343 149.1
[M+Na]+ 239.12537 153.7
[M-H]- 215.12887 151.3
[M+NH4]+ 234.16997 167.6
[M+K]+ 255.09931 154.7
[M+H-H2O]+ 199.13341 144.8
[M+HCOO]- 261.13435 164.9
[M+CH3COO]- 275.15000 182.6
[M+Na-2H]- 237.11082 155.0
[M]+ 216.13560 148.5
[M]- 216.13670 148.5
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

No patent data available for this compound.