CID 119025

36597-49-6

Structural Information

Molecular Formula
C13H28O4
SMILES
CC(C)OC(OC(C)C)(OC(C)C)OC(C)C
InChI
InChI=1S/C13H28O4/c1-9(2)14-13(15-10(3)4,16-11(5)6)17-12(7)8/h9-12H,1-8H3
InChIKey
PUAUAWJVTROGJG-UHFFFAOYSA-N
Compound name
2-[tri(propan-2-yloxy)methoxy]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

248.19876 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.206036 161.8
[M+Na]+ 271.187978 165.7
[M-H]- 247.191484 161.4
[M+NH4]+ 266.232583 179.2
[M+K]+ 287.161918 168.0
[M+H-H2O]+ 231.196020 156.7
[M+HCOO]- 293.196961 178.9
[M+CH3COO]- 307.212611 200.0
[M+Na-2H]- 269.173426 161.3
[M]+ 248.19821142 168.6
[M]- 248.19930858 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe