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 231.0
[M+Na]+ 495.40200 237.9
[M-H]- 471.40550 221.0
[M+NH4]+ 490.44660 236.8
[M+K]+ 511.37594 237.1
[M+H-H2O]+ 455.41004 233.9
[M+HCOO]- 517.41098 234.5
[M+CH3COO]- 531.42663 243.2
[M+Na-2H]- 493.38745 219.0
[M]+ 472.41223 232.7
[M]- 472.41333 232.7
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