CID 119865

1-[2-(2-methoxyethoxy)ethoxy]propan-2-ol

Structural Information

Molecular Formula
C8H18O4
SMILES
CC(COCCOCCOC)O
InChI
InChI=1S/C8H18O4/c1-8(9)7-12-6-5-11-4-3-10-2/h8-9H,3-7H2,1-2H3
InChIKey
MCBRLKGIOZXDOU-UHFFFAOYSA-N
Compound name
1-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

178.12051 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.127786 140.7
[M+Na]+ 201.109728 146.4
[M-H]- 177.113234 139.2
[M+NH4]+ 196.154333 160.2
[M+K]+ 217.083668 147.1
[M+H-H2O]+ 161.117770 135.5
[M+HCOO]- 223.118711 162.3
[M+CH3COO]- 237.134361 179.3
[M+Na-2H]- 199.095176 145.0
[M]+ 178.11996142 146.1
[M]- 178.12105858 146.1
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