CID 75891

2679-14-3

Structural Information

Molecular Formula

SMILES

CNCCC(=O)O

InChI

InChI=1S/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)

InChIKey

VDIPNVCWMXZNFY-UHFFFAOYSA-N

Compound name

3-(methylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 2690
Patents: 103.06333 Da
Monoisotopic Mass: -3.0
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]+	104.070606	119.4
[M+Na]+	126.052548	126.2
[M-H]-	102.056054	118.6
[M+NH4]+	121.097153	141.5
[M+K]+	142.026488	126.3
[M+H-H2O]+	86.060590	115.0
[M+HCOO]-	148.061531	143.1
[M+CH3COO]-	162.077181	167.1
[M+Na-2H]-	124.037996	125.9
[M]+	103.06278142	118.7
[M]-	103.06387858	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe