CID 13412974

11-(4-hydroxybutoxy)undecanoic acid

Structural Information

Molecular Formula
C15H30O4
SMILES
C(CCCCCOCCCCO)CCCCC(=O)O
InChI
InChI=1S/C15H30O4/c16-12-8-10-14-19-13-9-6-4-2-1-3-5-7-11-15(17)18/h16H,1-14H2,(H,17,18)
InChIKey
KAIQFVRSSKPNJF-UHFFFAOYSA-N
Compound name
11-(4-hydroxybutoxy)undecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

274.21442 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.221696 171.5
[M+Na]+ 297.203638 174.0
[M-H]- 273.207144 167.2
[M+NH4]+ 292.248243 186.2
[M+K]+ 313.177578 171.4
[M+H-H2O]+ 257.211680 165.2
[M+HCOO]- 319.212621 189.4
[M+CH3COO]- 333.228271 196.8
[M+Na-2H]- 295.189086 171.5
[M]+ 274.21387142 176.8
[M]- 274.21496858 176.8
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