CID 129926251

2126179-23-3

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

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

InChI

InChI=1S/C8H13NO2/c1-8(2,9(3)4)6-5-7(10)11/h1-4H3,(H,10,11)

InChIKey

JXEYMAFJMOVCMT-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-4-methylpent-2-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 155.09464 Da
Monoisotopic Mass: -1.4
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]+	156.10192	136.9
[M+Na]+	178.08386	145.1
[M-H]-	154.08736	136.8
[M+NH4]+	173.12846	155.6
[M+K]+	194.05780	145.0
[M+H-H2O]+	138.09190	126.5
[M+HCOO]-	200.09284	152.9
[M+CH3COO]-	214.10849	188.3
[M+Na-2H]-	176.06931	140.5
[M]+	155.09409	132.3
[M]-	155.09519	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe