CID 3154175

1396966-81-6

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

CC(C(=O)O)NC1=NCCN1

InChI

InChI=1S/C6H11N3O2/c1-4(5(10)11)9-6-7-2-3-8-6/h4H,2-3H2,1H3,(H,10,11)(H2,7,8,9)

InChIKey

AJSRGDZWHXLRQT-UHFFFAOYSA-N

Compound name

2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 157.08513 Da
Monoisotopic Mass: -1.0
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	133.9
[M+Na]+	180.07435	139.4
[M-H]-	156.07785	132.0
[M+NH4]+	175.11895	151.9
[M+K]+	196.04829	138.2
[M+H-H2O]+	140.08239	126.9
[M+HCOO]-	202.08333	152.8
[M+CH3COO]-	216.09898	172.1
[M+Na-2H]-	178.05980	137.2
[M]+	157.08458	129.2
[M]-	157.08568	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe