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

2413
Patents

352.26135 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.26863 183.8
[M+Na]+ 375.25057 185.2
[M-H]- 351.25407 194.6
[M+NH4]+ 370.29517 183.9
[M+K]+ 391.22451 187.1
[M+H-H2O]+ 335.25861 176.2
[M+HCOO]- 397.25955 193.4
[M+CH3COO]- 411.27520 220.7
[M+Na-2H]- 373.23602 183.4
[M]+ 352.26080 185.8
[M]- 352.26190 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