CID 10197713

(3r)-3-hydroxyhexanoic acid

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

CCC[C@H](CC(=O)O)O

InChI

InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1

InChIKey

HPMGFDVTYHWBAG-RXMQYKEDSA-N

Compound name

(3R)-3-hydroxyhexanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 125
References: 9175
Patents: 132.07864 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	133.08592	127.9
[M+Na]+	155.06786	136.3
[M+NH4]+	150.11246	134.4
[M+K]+	171.04180	133.1
[M-H]-	131.07136	125.3
[M+Na-2H]-	153.05331	129.6
[M]+	132.07809	127.9
[M]-	132.07919	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe