CID 5362573

Einecs 273-407-6

Structural Information

Molecular Formula
C15H26O6
SMILES
C1C(O1)COCCCCC(COCC2CO2)OCC3CO3
InChI
InChI=1S/C15H26O6/c1(2-4-16-6-13-8-19-13)3-12(18-10-15-11-21-15)5-17-7-14-9-20-14/h12-15H,1-11H2
InChIKey
ZOFKPALYCTZEQT-UHFFFAOYSA-N
Compound name
2-[1,6-bis(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

208
Patents

302.17294 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.180216 183.8
[M+Na]+ 325.162158 185.3
[M-H]- 301.165664 192.0
[M+NH4]+ 320.206763 180.0
[M+K]+ 341.136098 189.1
[M+H-H2O]+ 285.170200 176.8
[M+HCOO]- 347.171141 194.7
[M+CH3COO]- 361.186791 221.0
[M+Na-2H]- 323.147606 183.4
[M]+ 302.17239142 194.5
[M]- 302.17348858 194.5
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