CID 316537

35404-63-8

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

C1=CC=C(C=C1)CN(CC(=O)O)C(=N)N

InChI

InChI=1S/C10H13N3O2/c11-10(12)13(7-9(14)15)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12)(H,14,15)

InChIKey

DRCHOONPCUVLOU-UHFFFAOYSA-N

Compound name

2-[benzyl(carbamimidoyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 207.10077 Da
Monoisotopic Mass: 0.3
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]+	208.10805	146.8
[M+Na]+	230.08999	154.4
[M+NH4]+	225.13459	153.0
[M+K]+	246.06393	150.9
[M-H]-	206.09349	148.4
[M+Na-2H]-	228.07544	151.5
[M]+	207.10022	147.7
[M]-	207.10132	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe