CID 22098976

130066-23-8

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

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

InChI

InChI=1S/C10H11N3O2/c11-10(12)13-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)(H4,11,12,13)/b6-3+

InChIKey

USAVJNGNUYZICW-ZZXKWVIFSA-N

Compound name

(E)-3-[4-(diaminomethylideneamino)phenyl]prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 205.08513 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]+	206.09241	145.8
[M+Na]+	228.07435	153.9
[M+NH4]+	223.11895	151.6
[M+K]+	244.04829	149.8
[M-H]-	204.07785	147.2
[M+Na-2H]-	226.05980	150.0
[M]+	205.08458	146.7
[M]-	205.08568	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe