CID 58079394

Ppg-1-peg-9 lauryl glycol ether

Structural Information

Molecular Formula
C17H36O3
SMILES
CCCCCCCCCCCCOCCOC(C)CO
InChI
InChI=1S/C17H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-19-14-15-20-17(2)16-18/h17-18H,3-16H2,1-2H3
InChIKey
LDQYRCPDQDZUOY-UHFFFAOYSA-N
Compound name
2-(2-dodecoxyethoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

880
Patents

288.26645 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.27373 179.3
[M+Na]+ 311.25567 181.2
[M-H]- 287.25917 176.0
[M+NH4]+ 306.30027 194.4
[M+K]+ 327.22961 179.1
[M+H-H2O]+ 271.26371 172.6
[M+HCOO]- 333.26465 197.6
[M+CH3COO]- 347.28030 204.2
[M+Na-2H]- 309.24112 178.7
[M]+ 288.26590 186.6
[M]- 288.26700 186.6
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