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
5
Annotation Hits

0
References

5370
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 178.1
[M+Na]+ 329.22985 180.9
[M-H]- 305.23335 176.3
[M+NH4]+ 324.27445 193.1
[M+K]+ 345.20379 180.6
[M+H-H2O]+ 289.23789 170.8
[M+HCOO]- 351.23883 199.8
[M+CH3COO]- 365.25448 206.9
[M+Na-2H]- 327.21530 180.1
[M]+ 306.24008 190.6
[M]- 306.24118 190.6
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