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
2
Annotation Hits

0
References

4
Patents

258.2559 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.263176 172.5
[M+Na]+ 281.245118 175.0
[M-H]- 257.248624 171.2
[M+NH4]+ 276.289723 189.6
[M+K]+ 297.219058 174.5
[M+H-H2O]+ 241.253160 166.3
[M+HCOO]- 303.254101 190.5
[M+CH3COO]- 317.269751 203.7
[M+Na-2H]- 279.230566 170.4
[M]+ 258.25535142 178.6
[M]- 258.25644858 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