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

381
Patents

151.12352 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.13080 133.7
[M+Na]+ 174.11274 142.4
[M-H]- 150.11624 134.9
[M+NH4]+ 169.15734 154.2
[M+K]+ 190.08668 134.8
[M+H-H2O]+ 134.12078 129.6
[M+HCOO]- 196.12172 156.4
[M+CH3COO]- 210.13737 170.6
[M+Na-2H]- 172.09819 141.3
[M]+ 151.12297 133.8
[M]- 151.12407 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