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

261
Patents

154.02008 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.027356 127.1
[M+Na]+ 177.009298 137.4
[M-H]- 153.012804 128.8
[M+NH4]+ 172.053903 146.4
[M+K]+ 192.983238 134.9
[M+H-H2O]+ 137.017340 120.5
[M+HCOO]- 199.018281 145.3
[M+CH3COO]- 213.033931 173.8
[M+Na-2H]- 174.994746 132.6
[M]+ 154.01953142 130.1
[M]- 154.02062858 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