CID 78057

3,6,9,12,15-pentaoxaheptadecane

Structural Information

Molecular Formula
C12H26O5
SMILES
CCOCCOCCOCCOCCOCC
InChI
InChI=1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3
InChIKey
HYDWALOBQJFOMS-UHFFFAOYSA-N
Compound name
1-ethoxy-2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

6178
Patents

250.17802 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.18530 160.0
[M+Na]+ 273.16724 164.5
[M-H]- 249.17074 159.0
[M+NH4]+ 268.21184 177.3
[M+K]+ 289.14118 165.2
[M+H-H2O]+ 233.17528 153.5
[M+HCOO]- 295.17622 183.1
[M+CH3COO]- 309.19187 195.1
[M+Na-2H]- 271.15269 164.1
[M]+ 250.17747 171.0
[M]- 250.17857 171.0
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