CID 10865

Refchem:172679

Structural Information

Molecular Formula

C₉H₁₄N₄

SMILES

C1=CC=C(C=C1)CCNN=C(N)N

InChI

InChI=1S/C9H14N4/c10-9(11)13-12-7-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H4,10,11,13)

InChIKey

NMLWFEJUWANVHA-UHFFFAOYSA-N

Compound name

2-(2-phenylethylamino)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 8
Patents: 178.12184 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]+	179.129116	137.6
[M+Na]+	201.111058	142.2
[M-H]-	177.114564	141.4
[M+NH4]+	196.155663	156.3
[M+K]+	217.084998	140.3
[M+H-H2O]+	161.119100	130.2
[M+HCOO]-	223.120041	165.7
[M+CH3COO]-	237.135691	191.9
[M+Na-2H]-	199.096506	144.2
[M]+	178.12129142	133.0
[M]-	178.12238858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe