CID 21498

Isobutyroguanamine

Structural Information

Molecular Formula

C₆H₁₁N₅

SMILES

CC(C)C1=NC(=NC(=N1)N)N

InChI

InChI=1S/C6H11N5/c1-3(2)4-9-5(7)11-6(8)10-4/h3H,1-2H3,(H4,7,8,9,10,11)

InChIKey

OOEGQLPPMITCBZ-UHFFFAOYSA-N

Compound name

6-propan-2-yl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 319
Patents: 153.10144 Da
Monoisotopic Mass: 0.4
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	131.5
[M+Na]+	176.09066	142.5
[M+NH4]+	171.13526	138.1
[M+K]+	192.06460	138.4
[M-H]-	152.09416	132.3
[M+Na-2H]-	174.07611	137.2
[M]+	153.10089	132.9
[M]-	153.10199	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe