CID 282115

2,4-diaminopyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C5H5N5
SMILES
C1=C(C(=NC(=N1)N)N)C#N
InChI
InChI=1S/C5H5N5/c6-1-3-2-9-5(8)10-4(3)7/h2H,(H4,7,8,9,10)
InChIKey
OYUQCQCQLDTRHQ-UHFFFAOYSA-N
Compound name
2,4-diaminopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

145
Patents

135.05449 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.061766 126.6
[M+Na]+ 158.043708 136.7
[M-H]- 134.047214 126.5
[M+NH4]+ 153.088313 142.6
[M+K]+ 174.017648 134.9
[M+H-H2O]+ 118.051750 112.6
[M+HCOO]- 180.052691 146.4
[M+CH3COO]- 194.068341 189.4
[M+Na-2H]- 156.029156 133.2
[M]+ 135.05394142 118.1
[M]- 135.05503858 118.1
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