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

11
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 177.9
[M+Na]+ 363.17782 178.3
[M-H]- 339.18132 184.0
[M+NH4]+ 358.22242 180.3
[M+K]+ 379.15176 183.7
[M+H-H2O]+ 323.18586 174.0
[M+HCOO]- 385.18680 188.9
[M+CH3COO]- 399.20245 199.1
[M+Na-2H]- 361.16327 182.5
[M]+ 340.18805 173.7
[M]- 340.18915 173.7
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