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

4
Patents

316.29776 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.30504 184.7
[M+Na]+ 339.28698 191.6
[M+NH4]+ 334.33158 189.8
[M+K]+ 355.26092 183.5
[M-H]- 315.29048 182.7
[M+Na-2H]- 337.27243 184.5
[M]+ 316.29721 184.8
[M]- 316.29831 184.8
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