CID 91844562

Einecs 281-162-1

Structural Information

Molecular Formula
C14H30O4
SMILES
CCCCOC(C(C)(CC(C)O)O)OCCCC
InChI
InChI=1S/C14H30O4/c1-5-7-9-17-13(18-10-8-6-2)14(4,16)11-12(3)15/h12-13,15-16H,5-11H2,1-4H3
InChIKey
WQRDRXRSKWWVEW-UHFFFAOYSA-N
Compound name
1,1-dibutoxy-2-methylpentane-2,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.21442 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.22170 165.8
[M+Na]+ 285.20364 171.8
[M+NH4]+ 280.24824 170.4
[M+K]+ 301.17758 168.6
[M-H]- 261.20714 161.9
[M+Na-2H]- 283.18909 165.0
[M]+ 262.21387 165.1
[M]- 262.21497 165.1
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.