CID 58483

3-amino-1-(1-naphthyl)guanidine hydriodide

Structural Information

Molecular Formula

C₁₁H₁₂N₄

SMILES

C1=CC=C2C(=C1)C=CC=C2N=C(N)NN

InChI

InChI=1S/C11H12N4/c12-11(15-13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,13H2,(H3,12,14,15)

InChIKey

VLIRVBQDHLENHI-UHFFFAOYSA-N

Compound name

1-amino-2-naphthalen-1-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.1062 Da
Monoisotopic Mass: 1.1
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]+	201.113476	139.8
[M+Na]+	223.095418	146.0
[M-H]-	199.098924	144.8
[M+NH4]+	218.140023	159.0
[M+K]+	239.069358	143.0
[M+H-H2O]+	183.103460	132.6
[M+HCOO]-	245.104401	167.2
[M+CH3COO]-	259.120051	196.0
[M+Na-2H]-	221.080866	148.4
[M]+	200.10565142	135.3
[M]-	200.10674858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe