CID 57483199

Propylene glycol ceteth-3 acetate

Structural Information

Molecular Formula
C27H54O6
SMILES
CCCCCCCCCCCCCCCCOC(C)COCCOCCOCCOC(=O)C
InChI
InChI=1S/C27H54O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-26(2)25-31-22-21-29-19-20-30-23-24-33-27(3)28/h26H,4-25H2,1-3H3
InChIKey
DTWLQQWJHSNQKD-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hexadecoxypropoxy)ethoxy]ethoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

500
Patents

474.39203 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.39931 231.0
[M+Na]+ 497.38125 236.4
[M-H]- 473.38475 218.9
[M+NH4]+ 492.42585 234.3
[M+K]+ 513.35519 234.1
[M+H-H2O]+ 457.38929 232.9
[M+HCOO]- 519.39023 239.5
[M+CH3COO]- 533.40588 240.7
[M+Na-2H]- 495.36670 217.7
[M]+ 474.39148 232.5
[M]- 474.39258 232.5
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