CID 22252

Butyroguanamine

Structural Information

Molecular Formula

C₆H₁₁N₅

SMILES

CCCC1=NC(=NC(=N1)N)N

InChI

InChI=1S/C6H11N5/c1-2-3-4-9-5(7)11-6(8)10-4/h2-3H2,1H3,(H4,7,8,9,10,11)

InChIKey

NGYGUYRBWLUDRP-UHFFFAOYSA-N

Compound name

6-propyl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 197
Patents: 153.10144 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]+	154.10872	131.1
[M+Na]+	176.09066	142.5
[M+NH4]+	171.13526	137.9
[M+K]+	192.06460	137.6
[M-H]-	152.09416	132.1
[M+Na-2H]-	174.07611	137.2
[M]+	153.10089	132.7
[M]-	153.10199	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe