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

4614
Patents

306.24063 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.247906 178.1
[M+Na]+ 329.229848 180.9
[M-H]- 305.233354 176.3
[M+NH4]+ 324.274453 193.1
[M+K]+ 345.203788 180.6
[M+H-H2O]+ 289.237890 170.8
[M+HCOO]- 351.238831 199.8
[M+CH3COO]- 365.254481 206.9
[M+Na-2H]- 327.215296 180.1
[M]+ 306.24008142 190.6
[M]- 306.24117858 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