CID 6326324

6034-46-4

Structural Information

Molecular Formula

C₅H₈O₄

SMILES

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

InChI

InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m0/s1

InChIKey

WTLNOANVTIKPEE-VKHMYHEASA-N

Compound name

(2S)-2-acetyloxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 76
References: 6188
Patents: 132.04225 Da
Monoisotopic Mass: 0.1
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]+	133.04953	125.4
[M+Na]+	155.03147	133.8
[M+NH4]+	150.07607	131.4
[M+K]+	171.00541	131.8
[M-H]-	131.03497	122.3
[M+Na-2H]-	153.01692	127.0
[M]+	132.04170	125.2
[M]-	132.04280	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe