CID 175412

Einecs 277-308-9

Structural Information

Molecular Formula
C22H46O7
SMILES
CCCCCCOCC(O)OC(C)COCC(C)OC(COCCCCCC)O
InChI
InChI=1S/C22H46O7/c1-5-7-9-11-13-25-17-21(23)28-19(3)15-27-16-20(4)29-22(24)18-26-14-12-10-8-6-2/h19-24H,5-18H2,1-4H3
InChIKey
IUQSQGHDEWZMCR-UHFFFAOYSA-N
Compound name
2-hexoxy-1-[1-[2-(2-hexoxy-1-hydroxyethoxy)propoxy]propan-2-yloxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.32434 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.33162 216.2
[M+Na]+ 445.31356 220.3
[M-H]- 421.31706 208.0
[M+NH4]+ 440.35816 218.6
[M+K]+ 461.28750 217.5
[M+H-H2O]+ 405.32160 204.3
[M+HCOO]- 467.32254 217.7
[M+CH3COO]- 481.33819 226.4
[M+Na-2H]- 443.29901 205.5
[M]+ 422.32379 215.8
[M]- 422.32489 215.8
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

No patent data available for this compound.