CID 10773449

166331-05-1

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CC1=C(N=CN1)CC(C(=O)O)N

InChI

InChI=1S/C7H11N3O2/c1-4-6(10-3-9-4)2-5(8)7(11)12/h3,5H,2,8H2,1H3,(H,9,10)(H,11,12)

InChIKey

UAFOEWLJICDDGE-UHFFFAOYSA-N

Compound name

2-amino-3-(5-methyl-1H-imidazol-4-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 169.08513 Da
Monoisotopic Mass: -2.8
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]+	170.09241	136.3
[M+Na]+	192.07435	144.2
[M+NH4]+	187.11895	141.7
[M+K]+	208.04829	143.5
[M-H]-	168.07785	134.4
[M+Na-2H]-	190.05980	138.7
[M]+	169.08458	136.2
[M]-	169.08568	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe