CID 6322

L-arginine

Structural Information

Molecular Formula

C₆H₁₄N₄O₂

SMILES

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

InChI

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

InChIKey

ODKSFYDXXFIFQN-BYPYZUCNSA-N

Compound name

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 68100
References: 261850
Patents: 174.11168 Da
Monoisotopic Mass: -4.2
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]+	175.118956	139.1
[M+Na]+	197.100898	142.7
[M-H]-	173.104404	137.7
[M+NH4]+	192.145503	156.7
[M+K]+	213.074838	142.7
[M+H-H2O]+	157.108940	132.3
[M+HCOO]-	219.109881	162.7
[M+CH3COO]-	233.125531	190.0
[M+Na-2H]-	195.086346	139.8
[M]+	174.11113142	133.3
[M]-	174.11222858	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe