CID 25093

1-cyclopentylbiguanide hydrochloride

Structural Information

Molecular Formula

C₇H₁₅N₅

SMILES

C1CCC(C1)N=C(N)N=C(N)N

InChI

InChI=1S/C7H15N5/c8-6(9)12-7(10)11-5-3-1-2-4-5/h5H,1-4H2,(H6,8,9,10,11,12)

InChIKey

MBRPFLDAQGDPAV-UHFFFAOYSA-N

Compound name

2-cyclopentyl-1-(diaminomethylidene)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 169.13275 Da
Monoisotopic Mass: -0.6
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]+	170.140026	136.1
[M+Na]+	192.121968	138.9
[M-H]-	168.125474	140.4
[M+NH4]+	187.166573	156.7
[M+K]+	208.095908	138.9
[M+H-H2O]+	152.130010	128.2
[M+HCOO]-	214.130951	163.5
[M+CH3COO]-	228.146601	192.5
[M+Na-2H]-	190.107416	138.3
[M]+	169.13220142	127.1
[M]-	169.13329858	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe