CID 61036

5,8,11,14,17-pentaoxaheneicosane

Structural Information

Molecular Formula
C16H34O5
SMILES
CCCCOCCOCCOCCOCCOCCCC
InChI
InChI=1S/C16H34O5/c1-3-5-7-17-9-11-19-13-15-21-16-14-20-12-10-18-8-6-4-2/h3-16H2,1-2H3
InChIKey
MQGIBEAIDUOVOH-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]butane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

5072
Patents

306.24063 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.24791 176.7
[M+Na]+ 329.22985 183.8
[M+NH4]+ 324.27445 181.5
[M+K]+ 345.20379 177.2
[M-H]- 305.23335 174.3
[M+Na-2H]- 327.21530 177.0
[M]+ 306.24008 176.7
[M]- 306.24118 176.7
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