CID 24766551

34311-90-5

Structural Information

Molecular Formula
C9H15N2
SMILES
CCCC[N+]1=CN(C=C1)C=C
InChI
InChI=1S/C9H15N2/c1-3-5-6-11-8-7-10(4-2)9-11/h4,7-9H,2-3,5-6H2,1H3/q+1
InChIKey
PQOPTKHODJNNPC-UHFFFAOYSA-N
Compound name
1-butyl-3-ethenylimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

151.12352 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.130796 133.7
[M+Na]+ 174.112738 142.4
[M-H]- 150.116244 134.9
[M+NH4]+ 169.157343 154.2
[M+K]+ 190.086678 134.8
[M+H-H2O]+ 134.120780 129.6
[M+HCOO]- 196.121721 156.4
[M+CH3COO]- 210.137371 170.6
[M+Na-2H]- 172.098186 141.3
[M]+ 151.12297142 133.8
[M]- 151.12406858 133.8
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