CID 12764701

10132-25-9

Structural Information

Molecular Formula
C6H8N2S
SMILES
CCSC1=NC=CC=N1
InChI
InChI=1S/C6H8N2S/c1-2-9-6-7-4-3-5-8-6/h3-5H,2H2,1H3
InChIKey
NEHWMOKJEUOJQR-UHFFFAOYSA-N
Compound name
2-ethylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

140.04082 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.048096 124.5
[M+Na]+ 163.030038 133.8
[M-H]- 139.033544 125.9
[M+NH4]+ 158.074643 144.3
[M+K]+ 179.003978 131.5
[M+H-H2O]+ 123.038080 117.9
[M+HCOO]- 185.039021 142.3
[M+CH3COO]- 199.054671 171.7
[M+Na-2H]- 161.015486 130.8
[M]+ 140.04027142 126.5
[M]- 140.04136858 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe