CID 9750

L-citrulline

Structural Information

Molecular Formula

C₆H₁₃N₃O₃

SMILES

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

InChI

InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1

InChIKey

RHGKLRLOHDJJDR-BYPYZUCNSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 6046
References: 103980
Patents: 175.09569 Da
Monoisotopic Mass: -4.3
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]+	176.10297	138.8
[M+Na]+	198.08491	142.8
[M+NH4]+	193.12951	143.1
[M+K]+	214.05885	141.8
[M-H]-	174.08841	136.3
[M+Na-2H]-	196.07036	138.5
[M]+	175.09514	137.7
[M]-	175.09624	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe