CID 104276768

1-ethyl-5-ethynyl-1h-imidazole

Structural Information

Molecular Formula
C7H8N2
SMILES
CCN1C=NC=C1C#C
InChI
InChI=1S/C7H8N2/c1-3-7-5-8-6-9(7)4-2/h1,5-6H,4H2,2H3
InChIKey
YBFFWXWDNUMCEQ-UHFFFAOYSA-N
Compound name
1-ethyl-5-ethynylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

120.06875 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.07603 124.0
[M+Na]+ 143.05797 136.2
[M+NH4]+ 138.10257 128.9
[M+K]+ 159.03191 128.6
[M-H]- 119.06147 116.8
[M+Na-2H]- 141.04342 127.4
[M]+ 120.06820 122.8
[M]- 120.06930 122.8
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

No patent data available for this compound.