CID 440279

(r)-2,3-dihydroxy-isovalerate

Structural Information

Molecular Formula

C₅H₁₀O₄

SMILES

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

InChI

InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1

InChIKey

JTEYKUFKXGDTEU-VKHMYHEASA-N

Compound name

(2R)-2,3-dihydroxy-3-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 16
References: 2036
Patents: 134.0579 Da
Monoisotopic Mass: -0.9
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]+	135.065176	126.3
[M+Na]+	157.047118	132.9
[M-H]-	133.050624	122.9
[M+NH4]+	152.091723	146.1
[M+K]+	173.021058	132.8
[M+H-H2O]+	117.055160	123.0
[M+HCOO]-	179.056101	143.5
[M+CH3COO]-	193.071751	165.5
[M+Na-2H]-	155.032566	130.6
[M]+	134.05735142	124.8
[M]-	134.05844858	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe