CID 17770037

1158376-51-2

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC(C)N(C)CCC(=O)O

InChI

InChI=1S/C7H15NO2/c1-6(2)8(3)5-4-7(9)10/h6H,4-5H2,1-3H3,(H,9,10)

InChIKey

ZOGOTIIKBRFGIO-UHFFFAOYSA-N

Compound name

3-[methyl(propan-2-yl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 145.11028 Da
Monoisotopic Mass: -1.7
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]+	146.11756	133.4
[M+Na]+	168.09950	138.9
[M-H]-	144.10300	133.7
[M+NH4]+	163.14410	154.4
[M+K]+	184.07344	140.1
[M+H-H2O]+	128.10754	128.3
[M+HCOO]-	190.10848	155.5
[M+CH3COO]-	204.12413	180.6
[M+Na-2H]-	166.08495	136.3
[M]+	145.10973	134.4
[M]-	145.11083	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe