CID 88369

20112-79-2

Structural Information

Molecular Formula
C4H8N2S
SMILES
CSC1=NCCN1
InChI
InChI=1S/C4H8N2S/c1-7-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)
InChIKey
MTIMDGQILFWMJI-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

949
Patents

116.04082 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04810 122.3
[M+Na]+ 139.03004 132.8
[M+NH4]+ 134.07464 131.2
[M+K]+ 155.00398 126.9
[M-H]- 115.03354 122.7
[M+Na-2H]- 137.01549 126.8
[M]+ 116.04027 124.1
[M]- 116.04137 124.1
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