CID 415705

N-(2-oxo-2h-chromen-6-yl)guanidine

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

C1=CC2=C(C=CC(=O)O2)C=C1N=C(N)N

InChI

InChI=1S/C10H9N3O2/c11-10(12)13-7-2-3-8-6(5-7)1-4-9(14)15-8/h1-5H,(H4,11,12,13)

InChIKey

OFZKVNIFUSQLMB-UHFFFAOYSA-N

Compound name

2-(2-oxochromen-6-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 203.06947 Da
Monoisotopic Mass: -0.1
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]+	204.07675	140.7
[M+Na]+	226.05869	149.3
[M-H]-	202.06219	147.0
[M+NH4]+	221.10329	158.9
[M+K]+	242.03263	147.7
[M+H-H2O]+	186.06673	133.6
[M+HCOO]-	248.06767	167.0
[M+CH3COO]-	262.08332	193.3
[M+Na-2H]-	224.04414	149.2
[M]+	203.06892	139.7
[M]-	203.07002	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe