CID 500

4-guanidinobutyric acid

Structural Information

Molecular Formula

C₅H₁₁N₃O₂

SMILES

C(CC(=O)O)CN=C(N)N

InChI

InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)

InChIKey

TUHVEAJXIMEOSA-UHFFFAOYSA-N

Compound name

4-(diaminomethylideneamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 44
References: 2746
Patents: 145.08513 Da
Monoisotopic Mass: -1.5
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]+	146.09241	130.9
[M+Na]+	168.07435	136.6
[M+NH4]+	163.11895	136.6
[M+K]+	184.04829	134.1
[M-H]-	144.07785	129.8
[M+Na-2H]-	166.05980	132.4
[M]+	145.08458	130.6
[M]-	145.08568	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe