CID 133065424

Isostearyl glyceryl pentaerythrityl ether

Structural Information

Molecular Formula
C26H54O6
SMILES
CC(C)CCCCCCCCCCCCCCCOCC(COCC(CO)(CO)CO)O
InChI
InChI=1S/C26H54O6/c1-24(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-31-18-25(30)19-32-23-26(20-27,21-28)22-29/h24-25,27-30H,3-23H2,1-2H3
InChIKey
QWVUXEBWAZOACQ-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-2-[[2-hydroxy-3-(16-methylheptadecoxy)propoxy]methyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

121
Patents

462.39203 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.39931 222.0
[M+Na]+ 485.38125 222.7
[M-H]- 461.38475 210.4
[M+NH4]+ 480.42585 217.3
[M+K]+ 501.35519 222.0
[M+H-H2O]+ 445.38929 217.4
[M+HCOO]- 507.39023 224.1
[M+CH3COO]- 521.40588 230.1
[M+Na-2H]- 483.36670 206.1
[M]+ 462.39148 219.9
[M]- 462.39258 219.9
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