CID 58403

101491-41-2

Structural Information

Molecular Formula

C₁₂H₂₇N₅

SMILES

CCCCCN(CCCCC)C(=N)N=C(N)N

InChI

InChI=1S/C12H27N5/c1-3-5-7-9-17(10-8-6-4-2)12(15)16-11(13)14/h3-10H2,1-2H3,(H5,13,14,15,16)

InChIKey

ASLUEXWHMHPYQQ-UHFFFAOYSA-N

Compound name

3-(diaminomethylidene)-1,1-dipentylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 241.22664 Da
Monoisotopic Mass: 2.3
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]+	242.23392	164.1
[M+Na]+	264.21586	165.5
[M-H]-	240.21936	165.2
[M+NH4]+	259.26046	180.8
[M+K]+	280.18980	165.4
[M+H-H2O]+	224.22390	155.9
[M+HCOO]-	286.22484	190.0
[M+CH3COO]-	300.24049	213.0
[M+Na-2H]-	262.20131	164.1
[M]+	241.22609	161.7
[M]-	241.22719	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe