CID 5744223

94022-00-1

Structural Information

Molecular Formula
C10H18O4
SMILES
CCOC(=O)C1C(O1)(C)CC(C)(C)O
InChI
InChI=1S/C10H18O4/c1-5-13-8(11)7-10(4,14-7)6-9(2,3)12/h7,12H,5-6H2,1-4H3
InChIKey
YHXGQNMELXJPKX-UHFFFAOYSA-N
Compound name
ethyl 3-(2-hydroxy-2-methylpropyl)-3-methyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

202.12051 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.127786 144.4
[M+Na]+ 225.109728 153.5
[M-H]- 201.113234 148.8
[M+NH4]+ 220.154333 159.3
[M+K]+ 241.083668 153.9
[M+H-H2O]+ 185.117770 140.5
[M+HCOO]- 247.118711 162.9
[M+CH3COO]- 261.134361 186.5
[M+Na-2H]- 223.095176 150.9
[M]+ 202.11996142 152.0
[M]- 202.12105858 152.0
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

No patent data available for this compound.