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
2
Annotation Hits

0
References

173
Patents

234.1831 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.190376 159.5
[M+Na]+ 257.172318 163.5
[M-H]- 233.175824 158.8
[M+NH4]+ 252.216923 177.3
[M+K]+ 273.146258 165.0
[M+H-H2O]+ 217.180360 153.5
[M+HCOO]- 279.181301 179.3
[M+CH3COO]- 293.196951 195.7
[M+Na-2H]- 255.157766 159.6
[M]+ 234.18255142 167.0
[M]- 234.18364858 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