CID 526860

3,6,9,12,15-pentaoxaeicosan-1-ol

Structural Information

Molecular Formula
C15H32O6
SMILES
CCCCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C15H32O6/c1-2-3-4-6-17-8-10-19-12-14-21-15-13-20-11-9-18-7-5-16/h16H,2-15H2,1H3
InChIKey
CHFJFGVAPWOVGG-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

308.21988 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.227156 175.8
[M+Na]+ 331.209098 178.4
[M-H]- 307.212604 172.6
[M+NH4]+ 326.253703 189.8
[M+K]+ 347.183038 177.9
[M+H-H2O]+ 291.217140 168.5
[M+HCOO]- 353.218081 196.4
[M+CH3COO]- 367.233731 203.3
[M+Na-2H]- 329.194546 177.9
[M]+ 308.21933142 187.3
[M]- 308.22042858 187.3
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