CID 412077

55901-21-8

Structural Information

Molecular Formula
C10H12N2S
SMILES
CCCSC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C10H12N2S/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h3-6H,2,7H2,1H3,(H,11,12)
InChIKey
BOXWEMKADONAQS-UHFFFAOYSA-N
Compound name
2-propylsulfanyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

51
Patents

192.07211 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07939 138.6
[M+Na]+ 215.06133 149.5
[M-H]- 191.06483 139.9
[M+NH4]+ 210.10593 159.0
[M+K]+ 231.03527 144.7
[M+H-H2O]+ 175.06937 132.4
[M+HCOO]- 237.07031 156.0
[M+CH3COO]- 251.08596 152.0
[M+Na-2H]- 213.04678 143.4
[M]+ 192.07156 142.0
[M]- 192.07266 142.0
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

No patent data available for this compound.