CID 115011279

2-ethynyl-1-(propan-2-yl)-1h-imidazole

Structural Information

Molecular Formula
C8H10N2
SMILES
CC(C)N1C=CN=C1C#C
InChI
InChI=1S/C8H10N2/c1-4-8-9-5-6-10(8)7(2)3/h1,5-7H,2-3H3
InChIKey
PQLDQAHXEOJINQ-UHFFFAOYSA-N
Compound name
2-ethynyl-1-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

134.0844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.091676 126.0
[M+Na]+ 157.073618 136.5
[M-H]- 133.077124 125.3
[M+NH4]+ 152.118223 144.5
[M+K]+ 173.047558 133.9
[M+H-H2O]+ 117.081660 112.7
[M+HCOO]- 179.082601 142.2
[M+CH3COO]- 193.098251 183.1
[M+Na-2H]- 155.059066 129.7
[M]+ 134.08385142 120.7
[M]- 134.08494858 120.7
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