CID 135770625

(s)-n-(4,5-dihydro-1-methyl-4-oxo-1h-imidazol-2-yl)alanine

Structural Information

Molecular Formula

C₇H₁₁N₃O₃

SMILES

CC(C(=O)O)N=C1NC(=O)CN1C

InChI

InChI=1S/C7H11N3O3/c1-4(6(12)13)8-7-9-5(11)3-10(7)2/h4H,3H2,1-2H3,(H,12,13)(H,8,9,11)

InChIKey

SKIVBBIKOOPRPR-UHFFFAOYSA-N

Compound name

2-[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 185.08005 Da
Monoisotopic Mass: -0.6
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]+	186.087326	139.4
[M+Na]+	208.069268	146.2
[M-H]-	184.072774	139.1
[M+NH4]+	203.113873	157.2
[M+K]+	224.043208	145.0
[M+H-H2O]+	168.077310	132.7
[M+HCOO]-	230.078251	158.5
[M+CH3COO]-	244.093901	180.8
[M+Na-2H]-	206.054716	140.4
[M]+	185.07950142	136.3
[M]-	185.08059858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe