CID 13070592

2-(allyloxymethyl)-18-crown 6-ether

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

59
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 179.6
[M+Na]+ 357.18838 179.3
[M-H]- 333.19188 183.9
[M+NH4]+ 352.23298 181.0
[M+K]+ 373.16232 186.0
[M+H-H2O]+ 317.19642 177.5
[M+HCOO]- 379.19736 188.0
[M+CH3COO]- 393.21301 196.7
[M+Na-2H]- 355.17383 183.6
[M]+ 334.19861 175.4
[M]- 334.19971 175.4
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