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
1
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]+ 203.12779 144.4
[M+Na]+ 225.10973 153.5
[M-H]- 201.11323 148.8
[M+NH4]+ 220.15433 159.3
[M+K]+ 241.08367 153.9
[M+H-H2O]+ 185.11777 140.5
[M+HCOO]- 247.11871 162.9
[M+CH3COO]- 261.13436 186.5
[M+Na-2H]- 223.09518 150.9
[M]+ 202.11996 152.0
[M]- 202.12106 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.