CID 11643967

Amidinoproline

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

C1C[C@H](N(C1)C(=N)N)C(=O)O

InChI

InChI=1S/C6H11N3O2/c7-6(8)9-3-1-2-4(9)5(10)11/h4H,1-3H2,(H3,7,8)(H,10,11)/t4-/m0/s1

InChIKey

ZXPRYJHVDMWTMA-BYPYZUCNSA-N

Compound name

(2S)-1-carbamimidoylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 98
Patents: 157.08513 Da
Monoisotopic Mass: -0.4
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]+	158.09241	133.5
[M+Na]+	180.07435	138.8
[M-H]-	156.07785	133.9
[M+NH4]+	175.11895	153.0
[M+K]+	196.04829	137.7
[M+H-H2O]+	140.08239	127.2
[M+HCOO]-	202.08333	154.2
[M+CH3COO]-	216.09898	177.0
[M+Na-2H]-	178.05980	135.0
[M]+	157.08458	126.6
[M]-	157.08568	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe