CID 26498

Su 9707

Structural Information

Molecular Formula

C₉H₂₀N₄

SMILES

C1CCC(CC1)NCCN=C(N)N

InChI

InChI=1S/C9H20N4/c10-9(11)13-7-6-12-8-4-2-1-3-5-8/h8,12H,1-7H2,(H4,10,11,13)

InChIKey

FMFVCTXSJBPLCX-UHFFFAOYSA-N

Compound name

2-[2-(cyclohexylamino)ethyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.1688 Da
Monoisotopic Mass: 0.1
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]+	185.176076	141.7
[M+Na]+	207.158018	143.1
[M-H]-	183.161524	144.2
[M+NH4]+	202.202623	159.8
[M+K]+	223.131958	142.0
[M+H-H2O]+	167.166060	134.2
[M+HCOO]-	229.167001	165.3
[M+CH3COO]-	243.182651	193.1
[M+Na-2H]-	205.143466	145.3
[M]+	184.16825142	132.7
[M]-	184.16934858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.