CID 450547

M-(18f)-fluorobenzylguanidine

Structural Information

Molecular Formula

C₈H₁₀FN₃

SMILES

C1=CC(=CC(=C1)[18F])CN=C(N)N

InChI

InChI=1S/C8H10FN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)/i9-1

InChIKey

HNPHEZIYSZIWHH-RVRFMXCPSA-N

Compound name

2-[(3-(18F)fluoranylphenyl)methyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 166.08841 Da
Monoisotopic Mass: 0.8
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]+	167.09569	132.8
[M+Na]+	189.07763	142.2
[M+NH4]+	184.12223	140.4
[M+K]+	205.05157	136.8
[M-H]-	165.08113	135.1
[M+Na-2H]-	187.06308	139.1
[M]+	166.08786	134.4
[M]-	166.08896	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe