CID 70251

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

Structural Information

Molecular Formula
C21H44O5
SMILES
CCCCCCCCCCCCCOCCOCCOCCOCCO
InChI
InChI=1S/C21H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-14-23-16-18-25-20-21-26-19-17-24-15-13-22/h22H,2-21H2,1H3
InChIKey
XGJLRCKXPUPYKH-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

376.31888 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.32616 200.2
[M+Na]+ 399.30810 200.4
[M-H]- 375.31160 195.9
[M+NH4]+ 394.35270 205.5
[M+K]+ 415.28204 197.9
[M+H-H2O]+ 359.31614 192.0
[M+HCOO]- 421.31708 221.4
[M+CH3COO]- 435.33273 219.0
[M+Na-2H]- 397.29355 199.1
[M]+ 376.31833 212.5
[M]- 376.31943 212.5
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