CID 3151865

2-(methylthio)pyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C6H6N2OS
SMILES
CSC1=NC=C(C=N1)C=O
InChI
InChI=1S/C6H6N2OS/c1-10-6-7-2-5(4-9)3-8-6/h2-4H,1H3
InChIKey
OERITKQWELOJBM-UHFFFAOYSA-N
Compound name
2-methylsulfanylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

154.02008 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.02736 129.5
[M+Na]+ 177.00930 143.0
[M+NH4]+ 172.05390 138.1
[M+K]+ 192.98324 134.6
[M-H]- 153.01280 130.9
[M+Na-2H]- 174.99475 136.3
[M]+ 154.01953 132.3
[M]- 154.02063 132.3
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