CID 4303686

Ceteth-2

Structural Information

Molecular Formula
C20H42O3
SMILES
CCCCCCCCCCCCCCCCOCCOCCO
InChI
InChI=1S/C20H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-19-20-23-18-16-21/h21H,2-20H2,1H3
InChIKey
NMSBTWLFBGNKON-UHFFFAOYSA-N
Compound name
2-(2-hexadecoxyethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3563
Patents

330.3134 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.32068 191.4
[M+Na]+ 353.30262 192.2
[M-H]- 329.30612 187.4
[M+NH4]+ 348.34722 204.8
[M+K]+ 369.27656 188.9
[M+H-H2O]+ 313.31066 184.0
[M+HCOO]- 375.31160 209.7
[M+CH3COO]- 389.32725 212.4
[M+Na-2H]- 351.28807 190.5
[M]+ 330.31285 200.5
[M]- 330.31395 200.5
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