CID 409362

N-(4-aminophenyl)guanidine

Structural Information

Molecular Formula

C₇H₁₀N₄

SMILES

C1=CC(=CC=C1N)N=C(N)N

InChI

InChI=1S/C7H10N4/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,8H2,(H4,9,10,11)

InChIKey

HXKWSIPCTVYMBN-UHFFFAOYSA-N

Compound name

2-(4-aminophenyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 82
Patents: 150.09055 Da
Monoisotopic Mass: -0.3
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]+	151.097826	129.7
[M+Na]+	173.079768	136.1
[M-H]-	149.083274	133.7
[M+NH4]+	168.124373	149.6
[M+K]+	189.053708	134.3
[M+H-H2O]+	133.087810	122.9
[M+HCOO]-	195.088751	157.7
[M+CH3COO]-	209.104401	186.4
[M+Na-2H]-	171.065216	135.4
[M]+	150.09000142	123.7
[M]-	150.09109858	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe