CID 104276784

5-ethynyl-1-propyl-1h-imidazole

Structural Information

Molecular Formula
C8H10N2
SMILES
CCCN1C=NC=C1C#C
InChI
InChI=1S/C8H10N2/c1-3-5-10-7-9-6-8(10)4-2/h2,6-7H,3,5H2,1H3
InChIKey
VXYYDWJZOCZXTF-UHFFFAOYSA-N
Compound name
5-ethynyl-1-propylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.0844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.091676 124.8
[M+Na]+ 157.073618 135.5
[M-H]- 133.077124 124.0
[M+NH4]+ 152.118223 143.4
[M+K]+ 173.047558 132.5
[M+H-H2O]+ 117.081660 111.4
[M+HCOO]- 179.082601 141.9
[M+CH3COO]- 193.098251 182.4
[M+Na-2H]- 155.059066 129.6
[M]+ 134.08385142 120.1
[M]- 134.08494858 120.1
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.