CID 548193

2498-47-7

Structural Information

Molecular Formula

C₇H₁₅N₃

SMILES

C1CCC(CC1)N=C(N)N

InChI

InChI=1S/C7H15N3/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2,(H4,8,9,10)

InChIKey

AJGAPBXTFUSKNJ-UHFFFAOYSA-N

Compound name

2-cyclohexylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2266
Patents: 141.1266 Da
Monoisotopic Mass: 0.5
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]+	142.13388	130.8
[M+Na]+	164.11582	133.9
[M-H]-	140.11932	133.8
[M+NH4]+	159.16042	151.1
[M+K]+	180.08976	133.2
[M+H-H2O]+	124.12386	124.3
[M+HCOO]-	186.12480	154.1
[M+CH3COO]-	200.14045	181.7
[M+Na-2H]-	162.10127	135.0
[M]+	141.12605	121.8
[M]-	141.12715	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe