CID 13070592

84812-04-4

Structural Information

Molecular Formula
C16H30O7
SMILES
C=CCOCC1COCCOCCOCCOCCOCCO1
InChI
InChI=1S/C16H30O7/c1-2-3-21-14-16-15-22-11-10-19-7-6-17-4-5-18-8-9-20-12-13-23-16/h2,16H,1,3-15H2
InChIKey
PVEMXXSASUDFKJ-UHFFFAOYSA-N
Compound name
2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

334.19916 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.20644 176.1
[M+Na]+ 357.18838 183.5
[M+NH4]+ 352.23298 179.7
[M+K]+ 373.16232 181.1
[M-H]- 333.19188 184.8
[M+Na-2H]- 355.17383 176.2
[M]+ 334.19861 179.0
[M]- 334.19971 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe