CID 76871839

Einecs 256-895-5

Structural Information

Molecular Formula
C18H28O4
SMILES
C1CC2CC1C3C2C(CC3)(COCC4CO4)COCC5CO5
InChI
InChI=1S/C18H28O4/c1-2-13-5-12(1)16-3-4-18(17(13)16,10-19-6-14-8-21-14)11-20-7-15-9-22-15/h12-17H,1-11H2
InChIKey
NAKUEGXKNSDYGY-UHFFFAOYSA-N
Compound name
2-[[3-(oxiran-2-ylmethoxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methoxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

308.19876 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.20604 168.3
[M+Na]+ 331.18798 174.1
[M-H]- 307.19148 177.5
[M+NH4]+ 326.23258 178.0
[M+K]+ 347.16192 173.6
[M+H-H2O]+ 291.19602 166.0
[M+HCOO]- 353.19696 179.5
[M+CH3COO]- 367.21261 177.2
[M+Na-2H]- 329.17343 168.2
[M]+ 308.19821 175.9
[M]- 308.19931 175.9
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