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

545
Patents

169.03099 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.038266 131.8
[M+Na]+ 192.020208 142.1
[M-H]- 168.023714 133.2
[M+NH4]+ 187.064813 150.1
[M+K]+ 207.994148 138.8
[M+H-H2O]+ 152.028250 125.0
[M+HCOO]- 214.029191 150.2
[M+CH3COO]- 228.044841 179.0
[M+Na-2H]- 190.005656 136.0
[M]+ 169.03044142 133.4
[M]- 169.03153858 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