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	133.7
[M+Na]+	180.07435	140.8
[M+NH4]+	175.11895	139.4
[M+K]+	196.04829	140.0
[M-H]-	156.07785	131.7
[M+Na-2H]-	178.05980	136.1
[M]+	157.08458	133.5
[M]-	157.08568	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe