CID 55301776

Lithium(1+)3-hydroxypent-4-ynoate

Structural Information

Molecular Formula

C₅H₆O₃

SMILES

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

InChI

InChI=1S/C5H6O3/c1-2-4(6)3-5(7)8/h1,4,6H,3H2,(H,7,8)

InChIKey

ROBNOQIXEHAIPS-UHFFFAOYSA-N

Compound name

3-hydroxypent-4-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 114.03169 Da
Monoisotopic Mass: -0.8
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]+	115.03897	120.9
[M+Na]+	137.02091	129.8
[M+NH4]+	132.06551	124.0
[M+K]+	152.99485	123.9
[M-H]-	113.02441	110.7
[M+Na-2H]-	135.00636	120.6
[M]+	114.03114	118.1
[M]-	114.03224	118.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe