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
2
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 151.5
[M-H]- 205.10814 144.3
[M+NH4]+ 224.14924 164.2
[M+K]+ 245.07858 151.8
[M+H-H2O]+ 189.11268 140.5
[M+HCOO]- 251.11362 167.8
[M+CH3COO]- 265.12927 183.5
[M+Na-2H]- 227.09009 149.9
[M]+ 206.11487 152.6
[M]- 206.11597 152.6
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.