CID 82761

1,1,3,3-tetraethoxy-2-methylpropane

Structural Information

Molecular Formula
C12H26O4
SMILES
CCOC(C(C)C(OCC)OCC)OCC
InChI
InChI=1S/C12H26O4/c1-6-13-11(14-7-2)10(5)12(15-8-3)16-9-4/h10-12H,6-9H2,1-5H3
InChIKey
XTYLJMKJLMHFJK-UHFFFAOYSA-N
Compound name
1,1,3,3-tetraethoxy-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

234.1831 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.19038 159.5
[M+Na]+ 257.17232 163.5
[M-H]- 233.17582 158.8
[M+NH4]+ 252.21692 177.3
[M+K]+ 273.14626 165.0
[M+H-H2O]+ 217.18036 153.5
[M+HCOO]- 279.18130 179.3
[M+CH3COO]- 293.19695 195.7
[M+Na-2H]- 255.15777 159.6
[M]+ 234.18255 167.0
[M]- 234.18365 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe