CID 12436372

1,4,7,10,13-pentaoxacyclohexadecan-15-ol

Structural Information

Molecular Formula
C11H22O6
SMILES
C1COCCOCC(COCCOCCO1)O
InChI
InChI=1S/C11H22O6/c12-11-9-16-7-5-14-3-1-13-2-4-15-6-8-17-10-11/h11-12H,1-10H2
InChIKey
CTIDLNQUMVCIPN-UHFFFAOYSA-N
Compound name
1,4,7,10,13-pentaoxacyclohexadecan-15-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 156.1
[M+Na]+ 273.130848 157.4
[M-H]- 249.134354 158.9
[M+NH4]+ 268.175453 161.9
[M+K]+ 289.104788 163.6
[M+H-H2O]+ 233.138890 154.3
[M+HCOO]- 295.139831 166.1
[M+CH3COO]- 309.155481 179.1
[M+Na-2H]- 271.116296 161.9
[M]+ 250.14108142 149.4
[M]- 250.14217858 149.4
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

patents stripe