CID 94216

3-hydroxydodecanoic acid

Structural Information

Molecular Formula
C12H24O3
SMILES
CCCCCCCCCC(CC(=O)O)O
InChI
InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
InChIKey
MUCMKTPAZLSKTL-UHFFFAOYSA-N
Compound name
3-hydroxydodecanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

56
References

2699
Patents

216.17255 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17983 154.3
[M+Na]+ 239.16177 161.5
[M+NH4]+ 234.20637 159.7
[M+K]+ 255.13571 156.8
[M-H]- 215.16527 151.4
[M+Na-2H]- 237.14722 154.4
[M]+ 216.17200 154.0
[M]- 216.17310 154.0
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