CID 83671784

Tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate

Structural Information

Molecular Formula
C10H20O4
SMILES
CC(C)(C)OC(=O)C(CCO)CCO
InChI
InChI=1S/C10H20O4/c1-10(2,3)14-9(13)8(4-6-11)5-7-12/h8,11-12H,4-7H2,1-3H3
InChIKey
YMBMRZOYRZLTPS-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.13615 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14343 149.2
[M+Na]+ 227.12537 154.2
[M-H]- 203.12887 146.4
[M+NH4]+ 222.16997 167.0
[M+K]+ 243.09931 153.9
[M+H-H2O]+ 187.13341 144.8
[M+HCOO]- 249.13435 166.3
[M+CH3COO]- 263.15000 181.7
[M+Na-2H]- 225.11082 151.4
[M]+ 204.13560 151.3
[M]- 204.13670 151.3
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.