CID 740946

75080-14-7

Structural Information

Molecular Formula
C11H14N2S
SMILES
CC(C)CSC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C11H14N2S/c1-8(2)7-14-11-12-9-5-3-4-6-10(9)13-11/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKey
BIXYBNXEZARYML-UHFFFAOYSA-N
Compound name
2-(2-methylpropylsulfanyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

13
Patents

206.08777 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09505 143.7
[M+Na]+ 229.07699 153.8
[M-H]- 205.08049 145.0
[M+NH4]+ 224.12159 163.4
[M+K]+ 245.05093 149.2
[M+H-H2O]+ 189.08503 137.5
[M+HCOO]- 251.08597 159.7
[M+CH3COO]- 265.10162 156.5
[M+Na-2H]- 227.06244 146.9
[M]+ 206.08722 146.9
[M]- 206.08832 146.9
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