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
2
Annotation Hits

0
References

214
Patents

302.17294 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18022 183.8
[M+Na]+ 325.16216 185.3
[M-H]- 301.16566 192.0
[M+NH4]+ 320.20676 180.0
[M+K]+ 341.13610 189.1
[M+H-H2O]+ 285.17020 176.8
[M+HCOO]- 347.17114 194.7
[M+CH3COO]- 361.18679 221.0
[M+Na-2H]- 323.14761 183.4
[M]+ 302.17239 194.5
[M]- 302.17349 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