CID 192850

(2-ethoxyethoxy)acetic acid

Structural Information

Molecular Formula
C6H12O4
SMILES
CCOCCOCC(=O)O
InChI
InChI=1S/C6H12O4/c1-2-9-3-4-10-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey
LVLQKFRSMSHJIE-UHFFFAOYSA-N
Compound name
2-(2-ethoxyethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

387
Patents

148.07356 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 130.1
[M+Na]+ 171.06278 138.9
[M+NH4]+ 166.10738 136.4
[M+K]+ 187.03672 135.1
[M-H]- 147.06628 127.6
[M+Na-2H]- 169.04823 132.2
[M]+ 148.07301 130.2
[M]- 148.07411 130.2
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