CID 309176

20781-06-0

Structural Information

Molecular Formula
C5H6N4O
SMILES
C1=C(C(=NC(=N1)N)N)C=O
InChI
InChI=1S/C5H6N4O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H,(H4,6,7,8,9)
InChIKey
GPWNWKWQOLEVEQ-UHFFFAOYSA-N
Compound name
2,4-diaminopyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6859
Patents

138.05415 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.06143 124.9
[M+Na]+ 161.04337 136.3
[M+NH4]+ 156.08797 131.8
[M+K]+ 177.01731 131.8
[M-H]- 137.04687 126.1
[M+Na-2H]- 159.02882 131.1
[M]+ 138.05360 126.5
[M]- 138.05470 126.5
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