CID 5312804

(3r)-3-hydroxydodecanoic acid

Structural Information

Molecular Formula
C12H24O3
SMILES
CCCCCCCCC[C@H](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)/t11-/m1/s1
InChIKey
MUCMKTPAZLSKTL-LLVKDONJSA-N
Compound name
(3R)-3-hydroxydodecanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

56
References

2805
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 156.2
[M+Na]+ 239.16177 159.8
[M-H]- 215.16527 152.6
[M+NH4]+ 234.20637 173.3
[M+K]+ 255.13571 157.9
[M+H-H2O]+ 199.16981 150.8
[M+HCOO]- 261.17075 173.9
[M+CH3COO]- 275.18640 186.7
[M+Na-2H]- 237.14722 156.4
[M]+ 216.17200 158.2
[M]- 216.17310 158.2
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