CID 101593

1-ethoxy-1,3,3-trimethoxypropane

Structural Information

Molecular Formula
C8H18O4
SMILES
CCOC(CC(OC)OC)OC
InChI
InChI=1S/C8H18O4/c1-5-12-8(11-4)6-7(9-2)10-3/h7-8H,5-6H2,1-4H3
InChIKey
GHZXJUYUMMBNHP-UHFFFAOYSA-N
Compound name
1-ethoxy-1,3,3-trimethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

178.12051 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.127786 140.4
[M+Na]+ 201.109728 146.3
[M-H]- 177.113234 140.4
[M+NH4]+ 196.154333 160.6
[M+K]+ 217.083668 148.4
[M+H-H2O]+ 161.117770 135.1
[M+HCOO]- 223.118711 162.6
[M+CH3COO]- 237.134361 182.9
[M+Na-2H]- 199.095176 144.0
[M]+ 178.11996142 147.0
[M]- 178.12105858 147.0
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

patents stripe