CID 3151865

2-(methylthio)-5-pyrimidinecarbaldehyde

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

242
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 127.1
[M+Na]+ 177.00930 137.4
[M-H]- 153.01280 128.8
[M+NH4]+ 172.05390 146.4
[M+K]+ 192.98324 134.9
[M+H-H2O]+ 137.01734 120.5
[M+HCOO]- 199.01828 145.3
[M+CH3COO]- 213.03393 173.8
[M+Na-2H]- 174.99475 132.6
[M]+ 154.01953 130.1
[M]- 154.02063 130.1
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