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

8
Annotation Hits: 1901
References: 127440
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]+	127.07267	120.7
[M+Na]+	149.05461	131.1
[M+NH4]+	144.09921	127.3
[M+K]+	165.02855	127.7
[M-H]-	125.05811	121.9
[M+Na-2H]-	147.04006	126.8
[M]+	126.06484	122.0
[M]-	126.06594	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe