CID 20834285

71735-67-6

Structural Information

Molecular Formula
C14H30O5
SMILES
CCC(COC(C)COC(C)COC(C)COC)O
InChI
InChI=1S/C14H30O5/c1-6-14(15)10-19-13(4)9-18-12(3)8-17-11(2)7-16-5/h11-15H,6-10H2,1-5H3
InChIKey
WLTNLBZUVZXKTC-UHFFFAOYSA-N
Compound name
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

278.20932 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.216596 171.9
[M+Na]+ 301.198538 174.3
[M-H]- 277.202044 169.4
[M+NH4]+ 296.243143 187.1
[M+K]+ 317.172478 175.6
[M+H-H2O]+ 261.206580 165.7
[M+HCOO]- 323.207521 188.8
[M+CH3COO]- 337.223171 201.8
[M+Na-2H]- 299.183986 169.3
[M]+ 278.20877142 179.0
[M]- 278.20986858 179.0
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

No patent data available for this compound.