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

6868
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 125.6
[M+Na]+ 161.04337 135.3
[M-H]- 137.04687 126.6
[M+NH4]+ 156.08797 143.9
[M+K]+ 177.01731 133.0
[M+H-H2O]+ 121.05141 118.5
[M+HCOO]- 183.05235 150.1
[M+CH3COO]- 197.06800 176.6
[M+Na-2H]- 159.02882 133.1
[M]+ 138.05360 123.1
[M]- 138.05470 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