CID 14771682

Guanidine, n,n'-dibutyl-

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

CCCCNC(=NCCCC)N

InChI

InChI=1S/C9H21N3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3,(H3,10,11,12)

InChIKey

HXEJAEDEMWCUTP-UHFFFAOYSA-N

Compound name

1,2-dibutylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 136
References: 264
Patents: 171.17355 Da
Monoisotopic Mass: 1.6
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]+	172.18083	142.8
[M+Na]+	194.16277	149.8
[M+NH4]+	189.20737	149.9
[M+K]+	210.13671	144.0
[M-H]-	170.16627	143.9
[M+Na-2H]-	192.14822	145.8
[M]+	171.17300	143.6
[M]-	171.17410	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe