CID 36336

15-crown-5

Structural Information

Molecular Formula
C10H20O5
SMILES
C1COCCOCCOCCOCCO1
InChI
InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
InChIKey
VFTFKUDGYRBSAL-UHFFFAOYSA-N
Compound name
1,4,7,10,13-pentaoxacyclopentadecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

136
References

16320
Patents

220.13107 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13835 147.3
[M+Na]+ 243.12029 156.5
[M+NH4]+ 238.16489 153.3
[M+K]+ 259.09423 153.5
[M-H]- 219.12379 155.5
[M+Na-2H]- 241.10574 150.0
[M]+ 220.13052 150.5
[M]- 220.13162 150.5
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