CID 160014

1-methyl-3-propylimidazole-2-thione

Structural Information

Molecular Formula
C7H12N2S
SMILES
CCCN1C=CN(C1=S)C
InChI
InChI=1S/C7H12N2S/c1-3-4-9-6-5-8(2)7(9)10/h5-6H,3-4H2,1-2H3
InChIKey
ZOCYDPURIYTNMU-UHFFFAOYSA-N
Compound name
1-methyl-3-propylimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

74
Patents

156.07211 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.079386 130.4
[M+Na]+ 179.061328 141.5
[M-H]- 155.064834 132.4
[M+NH4]+ 174.105933 152.1
[M+K]+ 195.035268 138.8
[M+H-H2O]+ 139.069370 124.5
[M+HCOO]- 201.070311 148.8
[M+CH3COO]- 215.085961 176.2
[M+Na-2H]- 177.046776 132.1
[M]+ 156.07156142 133.8
[M]- 156.07265858 133.8
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