CID 5362586

Propylene glycol di-tert-butyl ether

Structural Information

Molecular Formula
C11H24O2
SMILES
CC(COC(C)(C)C)OC(C)(C)C
InChI
InChI=1S/C11H24O2/c1-9(13-11(5,6)7)8-12-10(2,3)4/h9H,8H2,1-7H3
InChIKey
IVZAIGFRIOMAIK-UHFFFAOYSA-N
Compound name
2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]propoxy]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

188.17763 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.184906 146.7
[M+Na]+ 211.166848 152.8
[M-H]- 187.170354 147.0
[M+NH4]+ 206.211453 167.2
[M+K]+ 227.140788 153.6
[M+H-H2O]+ 171.174890 142.9
[M+HCOO]- 233.175831 165.4
[M+CH3COO]- 247.191481 186.6
[M+Na-2H]- 209.152296 151.6
[M]+ 188.17708142 151.2
[M]- 188.17817858 151.2
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