CID 9815489

88917-22-0

Structural Information

Molecular Formula
C9H18O4
SMILES
CC(COC)OCC(C)OC(=O)C
InChI
InChI=1S/C9H18O4/c1-7(5-11-4)12-6-8(2)13-9(3)10/h7-8H,5-6H2,1-4H3
InChIKey
LAVARTIQQDZFNT-UHFFFAOYSA-N
Compound name
1-(1-methoxypropan-2-yloxy)propan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

20164
Patents

190.12051 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.127786 143.7
[M+Na]+ 213.109728 149.3
[M-H]- 189.113234 143.7
[M+NH4]+ 208.154333 163.3
[M+K]+ 229.083668 151.1
[M+H-H2O]+ 173.117770 138.5
[M+HCOO]- 235.118711 164.8
[M+CH3COO]- 249.134361 185.2
[M+Na-2H]- 211.095176 145.5
[M]+ 190.11996142 149.3
[M]- 190.12105858 149.3
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