CID 73791

3,6,9,12-tetraoxahexadecan-1-ol

Structural Information

Molecular Formula
C12H26O5
SMILES
CCCCOCCOCCOCCOCCO
InChI
InChI=1S/C12H26O5/c1-2-3-5-14-7-9-16-11-12-17-10-8-15-6-4-13/h13H,2-12H2,1H3
InChIKey
MXVMODFDROLTFD-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

7743
Patents

250.17802 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.18530 160.4
[M+Na]+ 273.16724 164.4
[M-H]- 249.17074 157.9
[M+NH4]+ 268.21184 176.9
[M+K]+ 289.14118 164.2
[M+H-H2O]+ 233.17528 154.0
[M+HCOO]- 295.17622 181.9
[M+CH3COO]- 309.19187 192.5
[M+Na-2H]- 271.15269 163.9
[M]+ 250.17747 169.4
[M]- 250.17857 169.4
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