CID 91993

2-(2-(pentadecyloxy)ethoxy)ethanol

Structural Information

Molecular Formula
C19H40O3
SMILES
CCCCCCCCCCCCCCCOCCOCCO
InChI
InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-18-19-22-17-15-20/h20H,2-19H2,1H3
InChIKey
BBRRSEMXTGVTOC-UHFFFAOYSA-N
Compound name
2-(2-pentadecoxyethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

316.29776 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.305036 187.0
[M+Na]+ 339.286978 188.3
[M-H]- 315.290484 183.3
[M+NH4]+ 334.331583 201.0
[M+K]+ 355.260918 185.2
[M+H-H2O]+ 299.295020 179.8
[M+HCOO]- 361.295961 205.7
[M+CH3COO]- 375.311611 209.4
[M+Na-2H]- 337.272426 186.7
[M]+ 316.29721142 195.7
[M]- 316.29830858 195.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe