CID 67431

2,4-diaminopyrimidine

Structural Information

Molecular Formula
C4H6N4
SMILES
C1=CN=C(N=C1N)N
InChI
InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)
InChIKey
YAAWASYJIRZXSZ-UHFFFAOYSA-N
Compound name
pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

196
References

21127
Patents

110.05925 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.06653 118.8
[M+Na]+ 133.04847 127.8
[M-H]- 109.05197 119.5
[M+NH4]+ 128.09307 138.1
[M+K]+ 149.02241 125.9
[M+H-H2O]+ 93.056510 111.8
[M+HCOO]- 155.05745 143.2
[M+CH3COO]- 169.07310 171.1
[M+Na-2H]- 131.03392 127.7
[M]+ 110.05870 114.8
[M]- 110.05980 114.8
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