CID 49867141

Iminoarginine(1+)

Structural Information

Molecular Formula

C₆H₁₂N₄O₂

SMILES

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

InChI

InChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h7H,1-3H2,(H,11,12)(H4,8,9,10)

InChIKey

YWGYOCPWFDUKSA-UHFFFAOYSA-N

Compound name

5-(diaminomethylideneamino)-2-iminopentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5
Patents: 172.09602 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]+	173.10330	138.7
[M+Na]+	195.08524	142.5
[M+NH4]+	190.12984	143.1
[M+K]+	211.05918	140.9
[M-H]-	171.08874	137.2
[M+Na-2H]-	193.07069	139.0
[M]+	172.09547	137.8
[M]-	172.09657	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe