CID 114514

13410-58-7

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

2282
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 161.7
[M+Na]+ 375.25057 172.6
[M+NH4]+ 370.29517 169.7
[M+K]+ 391.22451 171.4
[M-H]- 351.25407 180.2
[M+Na-2H]- 373.23602 171.3
[M]+ 352.26080 170.5
[M]- 352.26190 170.5
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