CID 208862

1,1-bis(3-methylbutoxy)hexane

Structural Information

Molecular Formula
C16H34O2
SMILES
CCCCCC(OCCC(C)C)OCCC(C)C
InChI
InChI=1S/C16H34O2/c1-6-7-8-9-16(17-12-10-14(2)3)18-13-11-15(4)5/h14-16H,6-13H2,1-5H3
InChIKey
FKZZUTUSBAOONH-UHFFFAOYSA-N
Compound name
1,1-bis(3-methylbutoxy)hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.2559 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.26318 168.8
[M+Na]+ 281.24512 176.4
[M+NH4]+ 276.28972 175.1
[M+K]+ 297.21906 170.6
[M-H]- 257.24862 167.4
[M+Na-2H]- 279.23057 169.4
[M]+ 258.25535 169.3
[M]- 258.25645 169.3
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