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

227792
Patents

126.06539 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07267 123.6
[M+Na]+ 149.05461 133.2
[M-H]- 125.05811 123.0
[M+NH4]+ 144.09921 140.6
[M+K]+ 165.02855 130.9
[M+H-H2O]+ 109.06265 115.9
[M+HCOO]- 171.06359 147.4
[M+CH3COO]- 185.07924 176.9
[M+Na-2H]- 147.04006 131.6
[M]+ 126.06484 118.5
[M]- 126.06594 118.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.