CID 22695

1,1,2,2-tetrabutoxyethane

Structural Information

Molecular Formula
C18H38O4
SMILES
CCCCOC(C(OCCCC)OCCCC)OCCCC
InChI
InChI=1S/C18H38O4/c1-5-9-13-19-17(20-14-10-6-2)18(21-15-11-7-3)22-16-12-8-4/h17-18H,5-16H2,1-4H3
InChIKey
LNDOAJBBKMXYGW-UHFFFAOYSA-N
Compound name
1-(1,2,2-tributoxyethoxy)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

318.277 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.28428 186.9
[M+Na]+ 341.26622 188.5
[M-H]- 317.26972 184.9
[M+NH4]+ 336.31082 201.3
[M+K]+ 357.24016 188.0
[M+H-H2O]+ 301.27426 179.6
[M+HCOO]- 363.27520 205.6
[M+CH3COO]- 377.29085 212.5
[M+Na-2H]- 339.25167 185.0
[M]+ 318.27645 197.3
[M]- 318.27755 197.3
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