CID 15262304

Ethyl 2,3-dihydroxy-2-methylpropanoate

Structural Information

Molecular Formula
C6H12O4
SMILES
CCOC(=O)C(C)(CO)O
InChI
InChI=1S/C6H12O4/c1-3-10-5(8)6(2,9)4-7/h7,9H,3-4H2,1-2H3
InChIKey
CSAJBPPQDTYLCZ-UHFFFAOYSA-N
Compound name
ethyl 2,3-dihydroxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

148.07356 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 130.6
[M+Na]+ 171.06278 137.5
[M-H]- 147.06628 128.4
[M+NH4]+ 166.10738 150.7
[M+K]+ 187.03672 137.5
[M+H-H2O]+ 131.07082 126.9
[M+HCOO]- 193.07176 150.0
[M+CH3COO]- 207.08741 169.4
[M+Na-2H]- 169.04823 136.2
[M]+ 148.07301 132.0
[M]- 148.07411 132.0
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