CID 165844307

4-(tert-butoxy)-2-hydroxybutanoic acid

Structural Information

Molecular Formula
C8H16O4
SMILES
CC(C)(C)OCCC(C(=O)O)O
InChI
InChI=1S/C8H16O4/c1-8(2,3)12-5-4-6(9)7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKey
BWZREWRKZUPYCG-UHFFFAOYSA-N
Compound name
2-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.10486 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11214 139.6
[M+Na]+ 199.09408 145.4
[M-H]- 175.09758 137.1
[M+NH4]+ 194.13868 158.5
[M+K]+ 215.06802 145.5
[M+H-H2O]+ 159.10212 135.6
[M+HCOO]- 221.10306 157.4
[M+CH3COO]- 235.11871 176.4
[M+Na-2H]- 197.07953 142.9
[M]+ 176.10431 141.1
[M]- 176.10541 141.1
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.