CID 88852785

5-ethynyl-1,2-dimethyl-1h-imidazole

Structural Information

Molecular Formula
C7H8N2
SMILES
CC1=NC=C(N1C)C#C
InChI
InChI=1S/C7H8N2/c1-4-7-5-8-6(2)9(7)3/h1,5H,2-3H3
InChIKey
FLBRASZYLXQMBC-UHFFFAOYSA-N
Compound name
5-ethynyl-1,2-dimethylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

120.06875 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.076026 120.2
[M+Na]+ 143.057968 132.1
[M-H]- 119.061474 120.0
[M+NH4]+ 138.102573 139.6
[M+K]+ 159.031908 129.5
[M+H-H2O]+ 103.066010 107.4
[M+HCOO]- 165.066951 137.6
[M+CH3COO]- 179.082601 180.7
[M+Na-2H]- 141.043416 124.9
[M]+ 120.06820142 115.6
[M]- 120.06929858 115.6
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

patents stripe