CID 79404

2,5,8,10,13,16-hexaoxaheptadecane

Structural Information

Molecular Formula
C11H24O6
SMILES
COCCOCCOCOCCOCCOC
InChI
InChI=1S/C11H24O6/c1-12-3-5-14-7-9-16-11-17-10-8-15-6-4-13-2/h3-11H2,1-2H3
InChIKey
SMBXIGKPAGOPPF-UHFFFAOYSA-N
Compound name
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxymethoxy]ethoxy]ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

252.15729 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16457 157.5
[M+Na]+ 275.14651 162.3
[M-H]- 251.15001 156.6
[M+NH4]+ 270.19111 174.6
[M+K]+ 291.12045 163.7
[M+H-H2O]+ 235.15455 150.9
[M+HCOO]- 297.15549 181.0
[M+CH3COO]- 311.17114 194.1
[M+Na-2H]- 273.13196 162.2
[M]+ 252.15674 169.5
[M]- 252.15784 169.5
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