CID 295769

4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C6H7N3OS
SMILES
CSC1=NC=C(C(=N1)N)C=O
InChI
InChI=1S/C6H7N3OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2-3H,1H3,(H2,7,8,9)
InChIKey
FGONQMFYFJRAIG-UHFFFAOYSA-N
Compound name
4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

516
Patents

169.03099 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03827 131.8
[M+Na]+ 192.02021 142.1
[M-H]- 168.02371 133.2
[M+NH4]+ 187.06481 150.1
[M+K]+ 207.99415 138.8
[M+H-H2O]+ 152.02825 125.0
[M+HCOO]- 214.02919 150.2
[M+CH3COO]- 228.04484 179.0
[M+Na-2H]- 190.00566 136.0
[M]+ 169.03044 133.4
[M]- 169.03154 133.4
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