CID 75717

N,n-dimethylsuccinamic acid

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CN(C)C(=O)CCC(=O)O

InChI

InChI=1S/C6H11NO3/c1-7(2)5(8)3-4-6(9)10/h3-4H2,1-2H3,(H,9,10)

InChIKey

WAIGPJMZARQZDX-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 451
Patents: 145.0739 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]+	146.08118	129.9
[M+Na]+	168.06312	136.2
[M-H]-	144.06662	130.5
[M+NH4]+	163.10772	150.9
[M+K]+	184.03706	137.6
[M+H-H2O]+	128.07116	125.0
[M+HCOO]-	190.07210	152.9
[M+CH3COO]-	204.08775	178.0
[M+Na-2H]-	166.04857	133.5
[M]+	145.07335	131.3
[M]-	145.07445	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe