CID 101567

Lactic anhydride

Structural Information

Molecular Formula

C₆H₁₀O₅

SMILES

CC(C(=O)OC(=O)C(C)O)O

InChI

InChI=1S/C6H10O5/c1-3(7)5(9)11-6(10)4(2)8/h3-4,7-8H,1-2H3

InChIKey

AURKDQJEOYBJSQ-UHFFFAOYSA-N

Compound name

2-hydroxypropanoyl 2-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1958
Patents: 162.05283 Da
Monoisotopic Mass: -0.6
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]+	163.06011	132.2
[M+Na]+	185.04205	138.3
[M-H]-	161.04555	130.0
[M+NH4]+	180.08665	151.3
[M+K]+	201.01599	139.4
[M+H-H2O]+	145.05009	127.9
[M+HCOO]-	207.05103	150.6
[M+CH3COO]-	221.06668	172.5
[M+Na-2H]-	183.02750	133.3
[M]+	162.05228	132.8
[M]-	162.05338	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe