CID 21876655

3-(tert-butoxy)-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C7H14O4
SMILES
CC(C)(C)OCC(C(=O)O)O
InChI
InChI=1S/C7H14O4/c1-7(2,3)11-4-5(8)6(9)10/h5,8H,4H2,1-3H3,(H,9,10)
InChIKey
LEMIPPITFFHKFG-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

162.0892 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.096476 134.9
[M+Na]+ 185.078418 141.2
[M-H]- 161.081924 132.6
[M+NH4]+ 180.123023 154.4
[M+K]+ 201.052358 141.5
[M+H-H2O]+ 145.086460 131.1
[M+HCOO]- 207.087401 153.1
[M+CH3COO]- 221.103051 173.3
[M+Na-2H]- 183.063866 138.8
[M]+ 162.08865142 136.0
[M]- 162.08974858 136.0
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