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

340
Patents

135.09222 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.09950 127.8
[M+Na]+ 158.08144 137.2
[M-H]- 134.08494 129.2
[M+NH4]+ 153.12604 148.8
[M+K]+ 174.05538 129.3
[M+H-H2O]+ 118.08948 124.0
[M+HCOO]- 180.09042 151.0
[M+CH3COO]- 194.10607 166.5
[M+Na-2H]- 156.06689 135.9
[M]+ 135.09167 126.8
[M]- 135.09277 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