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]+ 205.143426 149.2
[M+Na]+ 227.125368 154.2
[M-H]- 203.128874 146.4
[M+NH4]+ 222.169973 167.0
[M+K]+ 243.099308 153.9
[M+H-H2O]+ 187.133410 144.8
[M+HCOO]- 249.134351 166.3
[M+CH3COO]- 263.150001 181.7
[M+Na-2H]- 225.110816 151.4
[M]+ 204.13560142 151.3
[M]- 204.13669858 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.