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 172.5
[M+Na]+ 281.24512 175.0
[M-H]- 257.24862 171.2
[M+NH4]+ 276.28972 189.6
[M+K]+ 297.21906 174.5
[M+H-H2O]+ 241.25316 166.3
[M+HCOO]- 303.25410 190.5
[M+CH3COO]- 317.26975 203.7
[M+Na-2H]- 279.23057 170.4
[M]+ 258.25535 178.6
[M]- 258.25645 178.6
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