CID 9859324

16024-60-5

Structural Information

Molecular Formula
C9H18O6
SMILES
COCCOCCOCCOCC(=O)O
InChI
InChI=1S/C9H18O6/c1-12-2-3-13-4-5-14-6-7-15-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKey
BCGLNCAVZDQPGE-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

276
Patents

222.11034 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.117616 148.2
[M+Na]+ 245.099558 153.4
[M-H]- 221.103064 146.3
[M+NH4]+ 240.144163 165.5
[M+K]+ 261.073498 154.3
[M+H-H2O]+ 205.107600 142.3
[M+HCOO]- 267.108541 170.1
[M+CH3COO]- 281.124191 185.5
[M+Na-2H]- 243.085006 152.1
[M]+ 222.10979142 156.1
[M]- 222.11088858 156.1
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