CID 4635864

(diaminomethyl-methyl-amino)-acetic acid

Structural Information

Molecular Formula

C₄H₁₁N₃O₂

SMILES

CN(CC(=O)O)C(N)N

InChI

InChI=1S/C4H11N3O2/c1-7(4(5)6)2-3(8)9/h4H,2,5-6H2,1H3,(H,8,9)

InChIKey

YNHURFGTTODJOO-UHFFFAOYSA-N

Compound name

2-[diaminomethyl(methyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 133.08513 Da
Monoisotopic Mass: -4.0
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]+	134.09241	128.1
[M+Na]+	156.07435	133.1
[M-H]-	132.07785	127.7
[M+NH4]+	151.11895	148.2
[M+K]+	172.04829	134.4
[M+H-H2O]+	116.08239	122.3
[M+HCOO]-	178.08333	151.9
[M+CH3COO]-	192.09898	180.5
[M+Na-2H]-	154.05980	130.7
[M]+	133.08458	124.2
[M]-	133.08568	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe