CID 56019

89898-24-8

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

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

InChI

InChI=1S/C7H10O3/c1-3-7(2,10)5-4-6(8)9/h10H,3H2,1-2H3,(H,8,9)

InChIKey

PNXVCZOXRMVKOT-UHFFFAOYSA-N

Compound name

4-hydroxy-4-methylhex-2-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 142.06299 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]+	143.07027	128.9
[M+Na]+	165.05221	137.4
[M+NH4]+	160.09681	131.7
[M+K]+	181.02615	131.6
[M-H]-	141.05571	118.3
[M+Na-2H]-	163.03766	128.4
[M]+	142.06244	126.0
[M]-	142.06354	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe