CID 21124307

Propanol, [2-(1,1-dimethylethoxy)methylethoxy]-

Structural Information

Molecular Formula
C10H22O3
SMILES
CCC(O)OCCCOC(C)(C)C
InChI
InChI=1S/C10H22O3/c1-5-9(11)12-7-6-8-13-10(2,3)4/h9,11H,5-8H2,1-4H3
InChIKey
GXMGTIXILCJBIV-UHFFFAOYSA-N
Compound name
1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

190.15689 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.16417 145.4
[M+Na]+ 213.14611 153.6
[M+NH4]+ 208.19071 151.8
[M+K]+ 229.12005 149.7
[M-H]- 189.14961 143.0
[M+Na-2H]- 211.13156 147.1
[M]+ 190.15634 145.6
[M]- 190.15744 145.6
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