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]+ 203.06375 145.4
[M+Na]+ 225.04569 159.4
[M-H]- 201.04919 146.7
[M+NH4]+ 220.09029 163.8
[M+K]+ 241.01963 153.4
[M+H-H2O]+ 185.05373 132.7
[M+HCOO]- 247.05467 158.2
[M+CH3COO]- 261.07032 157.4
[M+Na-2H]- 223.03114 148.0
[M]+ 202.05592 144.6
[M]- 202.05702 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.