CID 11229455

1-allyl-3-methylimidazolium bromide

Structural Information

Molecular Formula
C7H11N2
SMILES
C[N+]1=CN(C=C1)CC=C
InChI
InChI=1S/C7H11N2/c1-3-4-9-6-5-8(2)7-9/h3,5-7H,1,4H2,2H3/q+1
InChIKey
WWVMHGUBIOZASN-UHFFFAOYSA-N
Compound name
1-methyl-3-prop-2-enylimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

57
References

5060
Patents

123.092224 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.09950 124.2
[M+Na]+ 146.08144 133.8
[M-H]- 122.08495 125.8
[M+NH4]+ 141.12605 145.8
[M+K]+ 162.05538 126.8
[M+H-H2O]+ 106.08948 120.5
[M+HCOO]- 168.09042 147.6
[M+CH3COO]- 182.10608 164.6
[M+Na-2H]- 144.06689 132.9
[M]+ 123.09168 123.6
[M]- 123.09277 123.6
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