CID 12045499

1-ethynyl-1h-benzo[d]imidazole

Structural Information

Molecular Formula
C9H6N2
SMILES
C#CN1C=NC2=CC=CC=C21
InChI
InChI=1S/C9H6N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h1,3-7H
InChIKey
UIODBSMWUQOOIJ-UHFFFAOYSA-N
Compound name
1-ethynylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

142.0531 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06038 128.1
[M+Na]+ 165.04232 141.2
[M-H]- 141.04582 128.2
[M+NH4]+ 160.08692 147.3
[M+K]+ 181.01626 135.4
[M+H-H2O]+ 125.05036 114.7
[M+HCOO]- 187.05130 146.0
[M+CH3COO]- 201.06695 140.8
[M+Na-2H]- 163.02777 135.4
[M]+ 142.05255 123.8
[M]- 142.05365 123.8
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

patents stripe