CID 24846228

Succinic acid, 1-methyl-2-propynyl ester

Structural Information

Molecular Formula

C₈H₁₀O₄

SMILES

CC(C#C)OC(=O)CCC(=O)O

InChI

InChI=1S/C8H10O4/c1-3-6(2)12-8(11)5-4-7(9)10/h1,6H,4-5H2,2H3,(H,9,10)

InChIKey

MPFKIKJXEMXMNX-UHFFFAOYSA-N

Compound name

4-but-3-yn-2-yloxy-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 170.0579 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]+	171.06518	134.3
[M+Na]+	193.04712	142.5
[M+NH4]+	188.09172	136.5
[M+K]+	209.02106	136.8
[M-H]-	169.05062	123.6
[M+Na-2H]-	191.03257	133.1
[M]+	170.05735	131.2
[M]-	170.05845	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe