CID 91820575

L-beta-arginine

Structural Information

Molecular Formula

C₆H₁₄N₄O₂

SMILES

C(CN=C(N)N)[C@@H](CC(=O)O)N

InChI

InChI=1S/C6H14N4O2/c7-4(3-5(11)12)1-2-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1

InChIKey

XGSVDFYDYLLWRN-BYPYZUCNSA-N

Compound name

(3S)-3-amino-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 174.11168 Da
Monoisotopic Mass: -4.6
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]+	175.11896	139.3
[M+Na]+	197.10090	142.8
[M+NH4]+	192.14550	143.9
[M+K]+	213.07484	141.6
[M-H]-	173.10440	137.9
[M+Na-2H]-	195.08635	139.3
[M]+	174.11113	138.4
[M]-	174.11223	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe