CID 7955

Melamine

Structural Information

Molecular Formula

C₃H₆N₆

SMILES

C1(=NC(=NC(=N1)N)N)N

InChI

InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)

InChIKey

JDSHMPZPIAZGSV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 1926
References: 229299
Patents: 126.06539 Da
Monoisotopic Mass: -1.4
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]+	127.072666	123.6
[M+Na]+	149.054608	133.2
[M-H]-	125.058114	123.0
[M+NH4]+	144.099213	140.6
[M+K]+	165.028548	130.9
[M+H-H2O]+	109.062650	115.9
[M+HCOO]-	171.063591	147.4
[M+CH3COO]-	185.079241	176.9
[M+Na-2H]-	147.040056	131.6
[M]+	126.06484142	118.5
[M]-	126.06593858	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe