CID 87253507

4-hydroxycitrulline

Structural Information

Molecular Formula

C₆H₁₃N₃O₄

SMILES

C(C(CNC(=O)N)O)C(C(=O)O)N

InChI

InChI=1S/C6H13N3O4/c7-4(5(11)12)1-3(10)2-9-6(8)13/h3-4,10H,1-2,7H2,(H,11,12)(H3,8,9,13)

InChIKey

WSFLFFUIEVIDJY-UHFFFAOYSA-N

Compound name

2-amino-5-(carbamoylamino)-4-hydroxypentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 191.0906 Da
Monoisotopic Mass: -4.9
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]+	192.09788	141.9
[M+Na]+	214.07982	145.1
[M-H]-	190.08332	138.3
[M+NH4]+	209.12442	157.8
[M+K]+	230.05376	145.3
[M+H-H2O]+	174.08786	135.6
[M+HCOO]-	236.08880	161.7
[M+CH3COO]-	250.10445	186.0
[M+Na-2H]-	212.06527	141.2
[M]+	191.09005	136.3
[M]-	191.09115	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe