CID 60196418

Tripropylene glycol butyl ether

Structural Information

Molecular Formula
C13H28O4
SMILES
CCCCOC(CC)OC(C)COC(CC)O
InChI
InChI=1S/C13H28O4/c1-5-8-9-15-13(7-3)17-11(4)10-16-12(14)6-2/h11-14H,5-10H2,1-4H3
InChIKey
RNFAKTRFMQEEQE-UHFFFAOYSA-N
Compound name
1-[2-(1-butoxypropoxy)propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1721
Patents

248.19876 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.206036 164.8
[M+Na]+ 271.187978 167.9
[M-H]- 247.191484 162.4
[M+NH4]+ 266.232583 181.3
[M+K]+ 287.161918 168.3
[M+H-H2O]+ 231.196020 158.8
[M+HCOO]- 293.196961 182.7
[M+CH3COO]- 307.212611 196.0
[M+Na-2H]- 269.173426 163.7
[M]+ 248.19821142 170.6
[M]- 248.19930858 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