CID 86572

Cyclohexano-15-crown-5

Structural Information

Molecular Formula
C14H26O5
SMILES
C1CCC2C(C1)OCCOCCOCCOCCO2
InChI
InChI=1S/C14H26O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h13-14H,1-12H2
InChIKey
GQRWGIWRQMNZNT-UHFFFAOYSA-N
Compound name
2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

192
Patents

274.178 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.185276 162.1
[M+Na]+ 297.167218 162.3
[M-H]- 273.170724 165.8
[M+NH4]+ 292.211823 168.4
[M+K]+ 313.141158 168.1
[M+H-H2O]+ 257.175260 159.7
[M+HCOO]- 319.176201 169.8
[M+CH3COO]- 333.191851 170.0
[M+Na-2H]- 295.152666 167.4
[M]+ 274.17745142 153.8
[M]- 274.17854858 153.8
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