CID 7058173

{[amino(iminio)methyl](methyl)amino}acetate

Structural Information

Molecular Formula

C₄H₁₀N₃O₂

SMILES

C[N+](=C(N)N)CC(=O)O

InChI

InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H4,5,6,8,9)/p+1

InChIKey

WXOFJMWQRNARBH-UHFFFAOYSA-O

Compound name

carboxymethyl-(diaminomethylidene)-methylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 68950
Patents: 132.0773 Da
Monoisotopic Mass: -1.6
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]+	133.08458	124.2
[M+Na]+	155.06652	129.6
[M-H]-	131.07002	124.2
[M+NH4]+	150.11112	144.1
[M+K]+	171.04046	124.8
[M+H-H2O]+	115.07456	121.5
[M+HCOO]-	177.07550	148.1
[M+CH3COO]-	191.09115	171.2
[M+Na-2H]-	153.05197	129.4
[M]+	132.07675	118.3
[M]-	132.07785	118.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe