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
1
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]+ 275.18528 162.1
[M+Na]+ 297.16722 162.3
[M-H]- 273.17072 165.8
[M+NH4]+ 292.21182 168.4
[M+K]+ 313.14116 168.1
[M+H-H2O]+ 257.17526 159.7
[M+HCOO]- 319.17620 169.8
[M+CH3COO]- 333.19185 170.0
[M+Na-2H]- 295.15267 167.4
[M]+ 274.17745 153.8
[M]- 274.17855 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.