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
3
Annotation Hits

0
References

12266
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 164.8
[M+Na]+ 271.18798 167.9
[M-H]- 247.19148 162.4
[M+NH4]+ 266.23258 181.3
[M+K]+ 287.16192 168.3
[M+H-H2O]+ 231.19602 158.8
[M+HCOO]- 293.19696 182.7
[M+CH3COO]- 307.21261 196.0
[M+Na-2H]- 269.17343 163.7
[M]+ 248.19821 170.6
[M]- 248.19931 170.6
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