CID 12679071

51951-05-4

Structural Information

Molecular Formula
C8H16O6
SMILES
C(COCCOCCOCC(=O)O)O
InChI
InChI=1S/C8H16O6/c9-1-2-12-3-4-13-5-6-14-7-8(10)11/h9H,1-7H2,(H,10,11)
InChIKey
NUAYEVLSVMOUPE-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

403
Patents

208.09468 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10196 144.2
[M+Na]+ 231.08390 149.4
[M-H]- 207.08740 141.0
[M+NH4]+ 226.12850 161.3
[M+K]+ 247.05784 149.6
[M+H-H2O]+ 191.09194 138.6
[M+HCOO]- 253.09288 164.8
[M+CH3COO]- 267.10853 180.0
[M+Na-2H]- 229.06935 148.0
[M]+ 208.09413 149.7
[M]- 208.09523 149.7
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