CID 12208757

32545-01-0

Structural Information

Molecular Formula
C10H8N2
SMILES
CN1C2=CC=CC=C2N=C1C#C
InChI
InChI=1S/C10H8N2/c1-3-10-11-8-6-4-5-7-9(8)12(10)2/h1,4-7H,2H3
InChIKey
CPNOLRCHNQZMKO-UHFFFAOYSA-N
Compound name
2-ethynyl-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

156.06874 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07602 132.0
[M+Na]+ 179.05796 145.5
[M-H]- 155.06146 132.4
[M+NH4]+ 174.10256 151.0
[M+K]+ 195.03190 139.6
[M+H-H2O]+ 139.06600 118.7
[M+HCOO]- 201.06694 149.6
[M+CH3COO]- 215.08259 144.6
[M+Na-2H]- 177.04341 138.2
[M]+ 156.06819 128.4
[M]- 156.06929 128.4
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