CID 92041349

165038-56-2

Structural Information

Molecular Formula
C9H18O5
SMILES
COCCCOCCCOCC(=O)O
InChI
InChI=1S/C9H18O5/c1-12-4-2-5-13-6-3-7-14-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKey
XMIPUZPVJRPANC-UHFFFAOYSA-N
Compound name
2-[3-(3-methoxypropoxy)propoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.11542 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12270 146.1
[M+Na]+ 229.10464 153.8
[M+NH4]+ 224.14924 151.3
[M+K]+ 245.07858 149.8
[M-H]- 205.10814 142.9
[M+Na-2H]- 227.09009 147.0
[M]+ 206.11487 145.7
[M]- 206.11597 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.