CID 160464

Delta-guanidinovalerate

Structural Information

Molecular Formula

C₆H₁₃N₃O₂

SMILES

C(CCN=C(N)N)CC(=O)O

InChI

InChI=1S/C6H13N3O2/c7-6(8)9-4-2-1-3-5(10)11/h1-4H2,(H,10,11)(H4,7,8,9)

InChIKey

UKUBCVAQGIZRHL-UHFFFAOYSA-N

Compound name

5-(diaminomethylideneamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 305
Patents: 159.10077 Da
Monoisotopic Mass: -1.1
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]+	160.10805	135.3
[M+Na]+	182.08999	140.7
[M+NH4]+	177.13459	140.7
[M+K]+	198.06393	138.0
[M-H]-	158.09349	134.1
[M+Na-2H]-	180.07544	136.5
[M]+	159.10022	134.9
[M]-	159.10132	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe