CID 26029

Methylmelamine

Structural Information

Molecular Formula

C₄H₈N₆

SMILES

CNC1=NC(=NC(=N1)N)N

InChI

InChI=1S/C4H8N6/c1-7-4-9-2(5)8-3(6)10-4/h1H3,(H5,5,6,7,8,9,10)

InChIKey

CTRPRMNBTVRDFH-UHFFFAOYSA-N

Compound name

2-N-methyl-1,3,5-triazine-2,4,6-triamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 29482
Patents: 140.08104 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]+	141.08832	127.8
[M+Na]+	163.07026	137.0
[M-H]-	139.07376	127.6
[M+NH4]+	158.11486	144.5
[M+K]+	179.04420	134.7
[M+H-H2O]+	123.07830	119.8
[M+HCOO]-	185.07924	151.9
[M+CH3COO]-	199.09489	180.5
[M+Na-2H]-	161.05571	136.4
[M]+	140.08049	124.1
[M]-	140.08159	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe