CID 9452

1-ethyl-1-phenylguanidine hydrochloride

Structural Information

Molecular Formula

C₉H₁₃N₃

SMILES

CCN(C1=CC=CC=C1)C(=N)N

InChI

InChI=1S/C9H13N3/c1-2-12(9(10)11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,10,11)

InChIKey

XMHOJBPBXZZPBP-UHFFFAOYSA-N

Compound name

1-ethyl-1-phenylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 163.11095 Da
Monoisotopic Mass: 1.2
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]+	164.11823	136.8
[M+Na]+	186.10017	146.4
[M+NH4]+	181.14477	145.1
[M+K]+	202.07411	141.0
[M-H]-	162.10367	140.5
[M+Na-2H]-	184.08562	143.7
[M]+	163.11040	138.9
[M]-	163.11150	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe