CID 5113393

75507-17-4

Structural Information

Molecular Formula
C18H28O6
SMILES
C1COCCOCC(OCCOCCO1)COCC2=CC=CC=C2
InChI
InChI=1S/C18H28O6/c1-2-4-17(5-3-1)14-23-16-18-15-22-11-10-20-7-6-19-8-9-21-12-13-24-18/h1-5,18H,6-16H2
InChIKey
UAXWCXRLGRPPPM-UHFFFAOYSA-N
Compound name
2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

340.1886 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19588 176.7
[M+Na]+ 363.17782 187.0
[M+NH4]+ 358.22242 181.9
[M+K]+ 379.15176 182.6
[M-H]- 339.18132 186.9
[M+Na-2H]- 361.16327 180.8
[M]+ 340.18805 180.7
[M]- 340.18915 180.7
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