CID 19349920

4-(methylamino)benzene-1-carboximidamide dihydrochloride

Structural Information

Molecular Formula

C₈H₁₁N₃

SMILES

CNC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C8H11N3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,11H,1H3,(H3,9,10)

InChIKey

TYYHBFZDQVQALI-UHFFFAOYSA-N

Compound name

4-(methylamino)benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 149.09529 Da
Monoisotopic Mass: 0.2
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]+	150.10257	131.6
[M+Na]+	172.08451	141.6
[M+NH4]+	167.12911	139.9
[M+K]+	188.05845	136.1
[M-H]-	148.08801	135.1
[M+Na-2H]-	170.06996	138.4
[M]+	149.09474	133.7
[M]-	149.09584	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe