CID 46411

2-(diethoxymethyl)-2-ethyl-1-butanol

Structural Information

Molecular Formula
C11H24O3
SMILES
CCC(CC)(CO)C(OCC)OCC
InChI
InChI=1S/C11H24O3/c1-5-11(6-2,9-12)10(13-7-3)14-8-4/h10,12H,5-9H2,1-4H3
InChIKey
GDEOUXOJGKXLRX-UHFFFAOYSA-N
Compound name
2-(diethoxymethyl)-2-ethylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.17255 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.179826 151.7
[M+Na]+ 227.161768 156.7
[M-H]- 203.165274 150.0
[M+NH4]+ 222.206373 170.4
[M+K]+ 243.135708 156.5
[M+H-H2O]+ 187.169810 147.0
[M+HCOO]- 249.170751 170.6
[M+CH3COO]- 263.186401 186.7
[M+Na-2H]- 225.147216 155.1
[M]+ 204.17200142 156.3
[M]- 204.17309858 156.3
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.