CID 100449

Benzylideneaminoguanidine

Structural Information

Molecular Formula

C₈H₁₀N₄

SMILES

C1=CC=C(C=C1)C=NN=C(N)N

InChI

InChI=1S/C8H10N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-6H,(H4,9,10,12)

InChIKey

WNPXUCYRKHVMAD-UHFFFAOYSA-N

Compound name

2-(benzylideneamino)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 236
Patents: 162.09055 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]+	163.09783	132.5
[M+Na]+	185.07977	138.2
[M-H]-	161.08327	137.9
[M+NH4]+	180.12437	152.6
[M+K]+	201.05371	136.9
[M+H-H2O]+	145.08781	125.1
[M+HCOO]-	207.08875	162.6
[M+CH3COO]-	221.10440	189.8
[M+Na-2H]-	183.06522	140.1
[M]+	162.09000	128.6
[M]-	162.09110	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe