CID 163648

29322-86-9

Structural Information

Molecular Formula
C6H9N2
SMILES
C[N+]1=CN(C=C1)C=C
InChI
InChI=1S/C6H9N2/c1-3-8-5-4-7(2)6-8/h3-6H,1H2,2H3/q+1
InChIKey
VPNMTSAIINVZTK-UHFFFAOYSA-N
Compound name
1-ethenyl-3-methylimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5136
Patents

109.07658 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.083856 119.5
[M+Na]+ 132.065798 129.4
[M-H]- 108.069304 121.2
[M+NH4]+ 127.110403 141.6
[M+K]+ 148.039738 122.7
[M+H-H2O]+ 92.073840 116.0
[M+HCOO]- 154.074781 143.1
[M+CH3COO]- 168.090431 161.5
[M+Na-2H]- 130.051246 128.7
[M]+ 109.07603142 118.4
[M]- 109.07712858 118.4
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