CID 414677

66131-69-9

Structural Information

Molecular Formula
C5H8N4
SMILES
CNC1=NC=NC(=C1)N
InChI
InChI=1S/C5H8N4/c1-7-5-2-4(6)8-3-9-5/h2-3H,1H3,(H3,6,7,8,9)
InChIKey
OWHSQUDSJWIYDC-UHFFFAOYSA-N
Compound name
4-N-methylpyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

124.0749 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.082176 123.0
[M+Na]+ 147.064118 131.5
[M-H]- 123.067624 124.0
[M+NH4]+ 142.108723 142.0
[M+K]+ 163.038058 129.7
[M+H-H2O]+ 107.072160 115.8
[M+HCOO]- 169.073101 147.7
[M+CH3COO]- 183.088751 174.8
[M+Na-2H]- 145.049566 132.4
[M]+ 124.07435142 120.4
[M]- 124.07544858 120.4
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

patents stripe