CID 22023490

51951-04-3

Structural Information

Molecular Formula
C6H12O5
SMILES
C(COCCOCC(=O)O)O
InChI
InChI=1S/C6H12O5/c7-1-2-10-3-4-11-5-6(8)9/h7H,1-5H2,(H,8,9)
InChIKey
PRBXPAHXMGDVNQ-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyethoxy)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1350
Patents

164.06847 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.075746 133.0
[M+Na]+ 187.057688 139.2
[M-H]- 163.061194 130.3
[M+NH4]+ 182.102293 152.0
[M+K]+ 203.031628 139.3
[M+H-H2O]+ 147.065730 128.1
[M+HCOO]- 209.066671 154.1
[M+CH3COO]- 223.082321 171.9
[M+Na-2H]- 185.043136 137.8
[M]+ 164.06792142 136.3
[M]- 164.06901858 136.3
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