CID 61146915

N2-methylpyrimidine-2,5-diamine

Structural Information

Molecular Formula
C5H8N4
SMILES
CNC1=NC=C(C=N1)N
InChI
InChI=1S/C5H8N4/c1-7-5-8-2-4(6)3-9-5/h2-3H,6H2,1H3,(H,7,8,9)
InChIKey
MELWSUDCINDWJI-UHFFFAOYSA-N
Compound name
2-N-methylpyrimidine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

124.0749 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.08218 123.0
[M+Na]+ 147.06412 131.5
[M-H]- 123.06762 124.0
[M+NH4]+ 142.10872 142.0
[M+K]+ 163.03806 129.7
[M+H-H2O]+ 107.07216 115.8
[M+HCOO]- 169.07310 147.7
[M+CH3COO]- 183.08875 174.8
[M+Na-2H]- 145.04957 132.4
[M]+ 124.07435 120.4
[M]- 124.07545 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