CID 16776450

2-{[4-(aminomethyl)phenyl]formamido}acetamide

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

C1=CC(=CC=C1CN)C(=O)NCC(=O)N

InChI

InChI=1S/C10H13N3O2/c11-5-7-1-3-8(4-2-7)10(15)13-6-9(12)14/h1-4H,5-6,11H2,(H2,12,14)(H,13,15)

InChIKey

LMVHDIFTWGMVEV-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-N-(2-amino-2-oxoethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 207.10077 Da
Monoisotopic Mass: -0.5
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]+	208.108046	145.7
[M+Na]+	230.089988	151.0
[M-H]-	206.093494	148.3
[M+NH4]+	225.134593	162.9
[M+K]+	246.063928	149.0
[M+H-H2O]+	190.098030	138.6
[M+HCOO]-	252.098971	170.5
[M+CH3COO]-	266.114621	192.8
[M+Na-2H]-	228.075436	148.8
[M]+	207.10022142	142.0
[M]-	207.10131858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe