CID 2733744

2-hydroxymethyl-15-crown-5

Structural Information

Molecular Formula
C11H22O6
SMILES
C1COCCOCC(OCCOCCO1)CO
InChI
InChI=1S/C11H22O6/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11-12H,1-10H2
InChIKey
YHIQMMGCRYKJLB-UHFFFAOYSA-N
Compound name
1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

236
Patents

250.14163 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.148906 156.7
[M+Na]+ 273.130848 158.2
[M-H]- 249.134354 159.2
[M+NH4]+ 268.175453 162.6
[M+K]+ 289.104788 164.3
[M+H-H2O]+ 233.138890 154.7
[M+HCOO]- 295.139831 167.1
[M+CH3COO]- 309.155481 180.0
[M+Na-2H]- 271.116296 162.7
[M]+ 250.14108142 151.1
[M]- 250.14217858 151.1
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