CID 3160968

876890-28-7

Structural Information

Molecular Formula
C7H8N2OS
SMILES
CCSC1=NC=C(C=N1)C=O
InChI
InChI=1S/C7H8N2OS/c1-2-11-7-8-3-6(5-10)4-9-7/h3-5H,2H2,1H3
InChIKey
GFSPUASKPCHMEW-UHFFFAOYSA-N
Compound name
2-ethylsulfanylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

168.03574 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 133.9
[M+Na]+ 191.02496 147.2
[M+NH4]+ 186.06956 142.2
[M+K]+ 206.99890 138.5
[M-H]- 167.02846 135.2
[M+Na-2H]- 189.01041 140.4
[M]+ 168.03519 136.6
[M]- 168.03629 136.6
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