CID 86278278

Propylene glycol isoceteth-3 acetate

Structural Information

Molecular Formula
C28H56O5
SMILES
CCCCCCCCCCC(CCCCCC)COCC(C)OCC(C)OCCOC(=O)C
InChI
InChI=1S/C28H56O5/c1-6-8-10-12-13-14-15-17-19-28(18-16-11-9-7-2)24-30-22-25(3)33-23-26(4)31-20-21-32-27(5)29/h25-26,28H,6-24H2,1-5H3
InChIKey
FHCBGGAPSRVQCN-UHFFFAOYSA-N
Compound name
2-[1-[1-(2-hexyldodecoxy)propan-2-yloxy]propan-2-yloxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

252
Patents

472.41278 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.42006 236.7
[M+Na]+ 495.40200 237.1
[M+NH4]+ 490.44660 239.3
[M+K]+ 511.37594 235.7
[M-H]- 471.40550 224.6
[M+Na-2H]- 493.38745 237.8
[M]+ 472.41223 233.5
[M]- 472.41333 233.5
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