CID 21529

P-guanylbenzoic acid ethyl ester

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C10H12N2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H3,11,12)

InChIKey

SEBINEYTXBJXOB-UHFFFAOYSA-N

Compound name

ethyl 4-carbamimidoylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 192.08987 Da
Monoisotopic Mass: 1.8
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]+	193.09715	142.4
[M+Na]+	215.07909	152.1
[M+NH4]+	210.12369	149.3
[M+K]+	231.05303	147.5
[M-H]-	191.08259	144.1
[M+Na-2H]-	213.06454	147.6
[M]+	192.08932	143.9
[M]-	192.09042	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe