CID 3050300

Benzimidazole, 1-methyl-2-(prop-2-ynyl)thio-, hydrobromide

Structural Information

Molecular Formula
C11H10N2S
SMILES
CN1C2=CC=CC=C2N=C1SCC#C
InChI
InChI=1S/C11H10N2S/c1-3-8-14-11-12-9-6-4-5-7-10(9)13(11)2/h1,4-7H,8H2,2H3
InChIKey
OSQWPBUYKPLRSS-UHFFFAOYSA-N
Compound name
1-methyl-2-prop-2-ynylsulfanylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.05647 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.063746 145.4
[M+Na]+ 225.045688 159.4
[M-H]- 201.049194 146.7
[M+NH4]+ 220.090293 163.8
[M+K]+ 241.019628 153.4
[M+H-H2O]+ 185.053730 132.7
[M+HCOO]- 247.054671 158.2
[M+CH3COO]- 261.070321 157.4
[M+Na-2H]- 223.031136 148.0
[M]+ 202.05592142 144.6
[M]- 202.05701858 144.6
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.