CID 14743312

2-(prop-2-yn-1-yloxy)propanoic acid

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

CC(C(=O)O)OCC#C

InChI

InChI=1S/C6H8O3/c1-3-4-9-5(2)6(7)8/h1,5H,4H2,2H3,(H,7,8)

InChIKey

ASOPQMMSXAFJQU-UHFFFAOYSA-N

Compound name

2-prop-2-ynoxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 128.04735 Da
Monoisotopic Mass: 0.2
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]+	129.05463	124.1
[M+Na]+	151.03657	133.3
[M+NH4]+	146.08117	127.4
[M+K]+	167.01051	127.0
[M-H]-	127.04007	114.4
[M+Na-2H]-	149.02202	124.2
[M]+	128.04680	121.5
[M]-	128.04790	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe