CID 85241

2-[2-(2-methoxyethoxy)ethoxy]acetic acid

Structural Information

Molecular Formula
C7H14O5
SMILES
COCCOCCOCC(=O)O
InChI
InChI=1S/C7H14O5/c1-10-2-3-11-4-5-12-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey
YHBWXWLDOKIVCJ-UHFFFAOYSA-N
Compound name
2-[2-(2-methoxyethoxy)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5072
Patents

178.08412 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09140 136.8
[M+Na]+ 201.07334 143.1
[M-H]- 177.07684 135.4
[M+NH4]+ 196.11794 156.1
[M+K]+ 217.04728 143.9
[M+H-H2O]+ 161.08138 131.6
[M+HCOO]- 223.08232 159.2
[M+CH3COO]- 237.09797 177.5
[M+Na-2H]- 199.05879 141.7
[M]+ 178.08357 142.6
[M]- 178.08467 142.6
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