CID 112991

63059-33-6

Structural Information

Molecular Formula

C₇H₁₄N₂O₃

SMILES

CCCCNC(=O)NCC(=O)O

InChI

InChI=1S/C7H14N2O3/c1-2-3-4-8-7(12)9-5-6(10)11/h2-5H2,1H3,(H,10,11)(H2,8,9,12)

InChIKey

KGWHMDCQVDMTNZ-UHFFFAOYSA-N

Compound name

2-(butylcarbamoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 254
Patents: 174.10045 Da
Monoisotopic Mass: 0.2
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]+	175.10773	139.3
[M+Na]+	197.08967	145.5
[M+NH4]+	192.13427	144.5
[M+K]+	213.06361	142.4
[M-H]-	173.09317	137.2
[M+Na-2H]-	195.07512	140.4
[M]+	174.09990	138.9
[M]-	174.10100	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe