CID 114514

2,2'-((1-methylethylidene)bis(cyclohexane-4,1-diyloxymethylene))bisoxirane

Structural Information

Molecular Formula
C21H36O4
SMILES
CC(C)(C1CCC(CC1)OCC2CO2)C3CCC(CC3)OCC4CO4
InChI
InChI=1S/C21H36O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h15-20H,3-14H2,1-2H3
InChIKey
GZPRASLJQIBVDP-UHFFFAOYSA-N
Compound name
2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2291
Patents

352.26135 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.268626 183.8
[M+Na]+ 375.250568 185.2
[M-H]- 351.254074 194.6
[M+NH4]+ 370.295173 183.9
[M+K]+ 391.224508 187.1
[M+H-H2O]+ 335.258610 176.2
[M+HCOO]- 397.259551 193.4
[M+CH3COO]- 411.275201 220.7
[M+Na-2H]- 373.236016 183.4
[M]+ 352.26080142 185.8
[M]- 352.26189858 185.8
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

patents stripe