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 187.0
[M+Na]+ 339.28698 188.3
[M-H]- 315.29048 183.3
[M+NH4]+ 334.33158 201.0
[M+K]+ 355.26092 185.2
[M+H-H2O]+ 299.29502 179.8
[M+HCOO]- 361.29596 205.7
[M+CH3COO]- 375.31161 209.4
[M+Na-2H]- 337.27243 186.7
[M]+ 316.29721 195.7
[M]- 316.29831 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