CID 3611393

1,4,7,10,13,16-hexaoxacyclooctadecane-2-methanol

Structural Information

Molecular Formula
C13H26O7
SMILES
C1COCCOCCOC(COCCOCCO1)CO
InChI
InChI=1S/C13H26O7/c14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13/h13-14H,1-12H2
InChIKey
HFRGASADQCZXHH-UHFFFAOYSA-N
Compound name
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

310
Patents

294.16785 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.17513 168.3
[M+Na]+ 317.15707 168.4
[M-H]- 293.16057 171.8
[M+NH4]+ 312.20167 170.7
[M+K]+ 333.13101 175.5
[M+H-H2O]+ 277.16511 166.7
[M+HCOO]- 339.16605 176.0
[M+CH3COO]- 353.18170 186.6
[M+Na-2H]- 315.14252 173.3
[M]+ 294.16730 162.0
[M]- 294.16840 162.0
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