CID 46411

Mc 2666

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]+ 205.17983 151.7
[M+Na]+ 227.16177 156.7
[M-H]- 203.16527 150.0
[M+NH4]+ 222.20637 170.4
[M+K]+ 243.13571 156.5
[M+H-H2O]+ 187.16981 147.0
[M+HCOO]- 249.17075 170.6
[M+CH3COO]- 263.18640 186.7
[M+Na-2H]- 225.14722 155.1
[M]+ 204.17200 156.3
[M]- 204.17310 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.