CID 1605100

51389-04-9

Structural Information

Molecular Formula
C10H10N2S
SMILES
C=CCSC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C10H10N2S/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h2-6H,1,7H2,(H,11,12)
InChIKey
JHJHDEZWUNCTQO-UHFFFAOYSA-N
Compound name
2-prop-2-enylsulfanyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

80
Patents

190.05647 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.063746 138.0
[M+Na]+ 213.045688 149.2
[M-H]- 189.049194 139.4
[M+NH4]+ 208.090293 158.4
[M+K]+ 229.019628 143.8
[M+H-H2O]+ 173.053730 131.9
[M+HCOO]- 235.054671 155.6
[M+CH3COO]- 249.070321 151.4
[M+Na-2H]- 211.031136 142.7
[M]+ 190.05592142 140.7
[M]- 190.05701858 140.7
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