CID 21721259

2-{[bis(methylamino)methylidene]amino}acetic acid

Structural Information

Molecular Formula

C₅H₁₁N₃O₂

SMILES

CNC(=NC)NCC(=O)O

InChI

InChI=1S/C5H11N3O2/c1-6-5(7-2)8-3-4(9)10/h3H2,1-2H3,(H,9,10)(H2,6,7,8)

InChIKey

YXWDZUGIIGEORF-UHFFFAOYSA-N

Compound name

2-[(N,N'-dimethylcarbamimidoyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 145.08513 Da
Monoisotopic Mass: -0.9
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]+	146.09241	130.8
[M+Na]+	168.07435	136.1
[M-H]-	144.07785	131.3
[M+NH4]+	163.11895	151.2
[M+K]+	184.04829	136.7
[M+H-H2O]+	128.08239	124.9
[M+HCOO]-	190.08333	156.8
[M+CH3COO]-	204.09898	180.8
[M+Na-2H]-	166.05980	136.3
[M]+	145.08458	129.1
[M]-	145.08568	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe