CID 165772298

4-[3-(4-hydroxybutoxy)propoxy]butanoic acid

Structural Information

Molecular Formula
C11H22O5
SMILES
C(CCOCCCOCCCC(=O)O)CO
InChI
InChI=1S/C11H22O5/c12-6-1-2-7-15-9-4-10-16-8-3-5-11(13)14/h12H,1-10H2,(H,13,14)
InChIKey
UFURXMATKVQKRJ-UHFFFAOYSA-N
Compound name
4-[3-(4-hydroxybutoxy)propoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.14673 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15401 155.8
[M+Na]+ 257.13595 159.8
[M-H]- 233.13945 152.1
[M+NH4]+ 252.18055 172.0
[M+K]+ 273.10989 158.8
[M+H-H2O]+ 217.14399 149.9
[M+HCOO]- 279.14493 175.2
[M+CH3COO]- 293.16058 186.9
[M+Na-2H]- 255.12140 158.0
[M]+ 234.14618 161.0
[M]- 234.14728 161.0
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

patents stripe