CID 35794

1-allylimidazole

Structural Information

Molecular Formula
C6H8N2
SMILES
C=CCN1C=CN=C1
InChI
InChI=1S/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H2
InChIKey
XLXCHZCQTCBUOX-UHFFFAOYSA-N
Compound name
1-prop-2-enylimidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

10406
Patents

108.06875 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.076026 119.7
[M+Na]+ 131.057968 128.6
[M-H]- 107.061474 120.6
[M+NH4]+ 126.102573 141.7
[M+K]+ 147.031908 127.2
[M+H-H2O]+ 91.066010 112.9
[M+HCOO]- 153.066951 143.5
[M+CH3COO]- 167.082601 167.0
[M+Na-2H]- 129.043416 127.1
[M]+ 108.06820142 119.5
[M]- 108.06929858 119.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe