CID 130015773

2-(but-3-yn-1-yl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C11H10N2
SMILES
C#CCCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C11H10N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h1,4-7H,3,8H2,(H,12,13)
InChIKey
OCUOEPUULYYEOY-UHFFFAOYSA-N
Compound name
2-but-3-ynyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0844 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09168 138.7
[M+Na]+ 193.07362 152.3
[M+NH4]+ 188.11822 143.8
[M+K]+ 209.04756 143.2
[M-H]- 169.07712 132.0
[M+Na-2H]- 191.05907 142.5
[M]+ 170.08385 138.0
[M]- 170.08495 138.0
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.