CID 309176

2,4-diaminopyrimidine-5-carbaldehyde

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

6330
Patents

138.05415 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.061426 125.6
[M+Na]+ 161.043368 135.3
[M-H]- 137.046874 126.6
[M+NH4]+ 156.087973 143.9
[M+K]+ 177.017308 133.0
[M+H-H2O]+ 121.051410 118.5
[M+HCOO]- 183.052351 150.1
[M+CH3COO]- 197.068001 176.6
[M+Na-2H]- 159.028816 133.1
[M]+ 138.05360142 123.1
[M]- 138.05469858 123.1
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