CID 10856041

2,2,3,3-tetramethoxybutane

Structural Information

Molecular Formula
C8H18O4
SMILES
CC(C(C)(OC)OC)(OC)OC
InChI
InChI=1S/C8H18O4/c1-7(9-3,10-4)8(2,11-5)12-6/h1-6H3
InChIKey
COEBCOIFCLAOFZ-UHFFFAOYSA-N
Compound name
2,2,3,3-tetramethoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

178.12051 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.127786 139.0
[M+Na]+ 201.109728 146.3
[M-H]- 177.113234 139.6
[M+NH4]+ 196.154333 159.6
[M+K]+ 217.083668 148.3
[M+H-H2O]+ 161.117770 135.1
[M+HCOO]- 223.118711 160.1
[M+CH3COO]- 237.134361 182.1
[M+Na-2H]- 199.095176 146.9
[M]+ 178.11996142 146.1
[M]- 178.12105858 146.1
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