CID 3044557

57499-93-1

Structural Information

Molecular Formula
C13H28O4
SMILES
CCCCOCC(C)OCC(C)OCC(C)O
InChI
InChI=1S/C13H28O4/c1-5-6-7-15-9-12(3)17-10-13(4)16-8-11(2)14/h11-14H,5-10H2,1-4H3
InChIKey
LORVPHHKJFSORQ-UHFFFAOYSA-N
Compound name
1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8172
Patents

248.19876 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.20604 161.6
[M+Na]+ 271.18798 168.3
[M+NH4]+ 266.23258 166.8
[M+K]+ 287.16192 164.6
[M-H]- 247.19148 158.7
[M+Na-2H]- 269.17343 161.4
[M]+ 248.19821 161.3
[M]- 248.19931 161.3
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