CID 59538260

100894-64-2

Structural Information

Molecular Formula
C8H11N2
SMILES
C=CC[N+]1=CN(C=C1)C=C
InChI
InChI=1S/C8H11N2/c1-3-5-10-7-6-9(4-2)8-10/h3-4,6-8H,1-2,5H2/q+1
InChIKey
RBBDSINTYAAWLC-UHFFFAOYSA-N
Compound name
1-ethenyl-3-prop-2-enylimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

352
Patents

135.09222 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.099496 127.8
[M+Na]+ 158.081438 137.2
[M-H]- 134.084944 129.2
[M+NH4]+ 153.126043 148.8
[M+K]+ 174.055378 129.3
[M+H-H2O]+ 118.089480 124.0
[M+HCOO]- 180.090421 151.0
[M+CH3COO]- 194.106071 166.5
[M+Na-2H]- 156.066886 135.9
[M]+ 135.09167142 126.8
[M]- 135.09276858 126.8
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