CID 6602429

L-rhamnonic acid

Structural Information

Molecular Formula

C₆H₁₂O₆

SMILES

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

InChI

InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4+,5+/m0/s1

InChIKey

NBFWIISVIFCMDK-QMKXCQHVSA-N

Compound name

(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 294
Patents: 180.06339 Da
Monoisotopic Mass: -2.3
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]+	181.070666	138.1
[M+Na]+	203.052608	142.0
[M-H]-	179.056114	131.4
[M+NH4]+	198.097213	153.9
[M+K]+	219.026548	142.3
[M+H-H2O]+	163.060650	133.8
[M+HCOO]-	225.061591	150.9
[M+CH3COO]-	239.077241	171.1
[M+Na-2H]-	201.038056	136.1
[M]+	180.06284142	134.5
[M]-	180.06393858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe