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
5
Annotation Hits

136
References

16756
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 148.1
[M+Na]+ 243.12029 149.6
[M-H]- 219.12379 151.7
[M+NH4]+ 238.16489 155.7
[M+K]+ 259.09423 156.5
[M+H-H2O]+ 203.12833 146.2
[M+HCOO]- 265.12927 160.2
[M+CH3COO]- 279.14492 176.1
[M+Na-2H]- 241.10574 155.6
[M]+ 220.13052 142.1
[M]- 220.13162 142.1
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