CID 13863

2,4,6-triaminopyrimidine

Structural Information

Molecular Formula
C4H7N5
SMILES
C1=C(N=C(N=C1N)N)N
InChI
InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)
InChIKey
JTTIOYHBNXDJOD-UHFFFAOYSA-N
Compound name
pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

49
References

7115
Patents

125.070145 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.077421 123.0
[M+Na]+ 148.059363 132.1
[M-H]- 124.062869 123.7
[M+NH4]+ 143.103968 141.4
[M+K]+ 164.033303 129.8
[M+H-H2O]+ 108.067405 115.9
[M+HCOO]- 170.068346 147.8
[M+CH3COO]- 184.083996 176.9
[M+Na-2H]- 146.044811 130.4
[M]+ 125.06959642 117.8
[M]- 125.07069358 117.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe