CID 81861

1-[2-(2-methoxyethoxy)ethoxy]butane

Structural Information

Molecular Formula
C9H20O3
SMILES
CCCCOCCOCCOC
InChI
InChI=1S/C9H20O3/c1-3-4-5-11-8-9-12-7-6-10-2/h3-9H2,1-2H3
InChIKey
HYLLZXPMJRMUHH-UHFFFAOYSA-N
Compound name
1-[2-(2-methoxyethoxy)ethoxy]butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11069
Patents

176.14125 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.14853 141.4
[M+Na]+ 199.13047 147.4
[M-H]- 175.13397 141.1
[M+NH4]+ 194.17507 161.9
[M+K]+ 215.10441 147.8
[M+H-H2O]+ 159.13851 136.0
[M+HCOO]- 221.13945 165.0
[M+CH3COO]- 235.15510 182.2
[M+Na-2H]- 197.11592 147.0
[M]+ 176.14070 148.3
[M]- 176.14180 148.3
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