CID 4183883

218151-78-1

Structural Information

Molecular Formula
C8H15N2
SMILES
CCCN1C=C[N+](=C1C)C
InChI
InChI=1S/C8H15N2/c1-4-5-10-7-6-9(3)8(10)2/h6-7H,4-5H2,1-3H3/q+1
InChIKey
MXLZUALXSYVAIV-UHFFFAOYSA-N
Compound name
1,2-dimethyl-3-propylimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

5221
Patents

139.12352 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.13080 129.4
[M+Na]+ 162.11274 139.2
[M-H]- 138.11624 131.2
[M+NH4]+ 157.15734 150.8
[M+K]+ 178.08668 132.5
[M+H-H2O]+ 122.12078 125.8
[M+HCOO]- 184.12172 152.2
[M+CH3COO]- 198.13737 169.7
[M+Na-2H]- 160.09819 136.9
[M]+ 139.12297 130.2
[M]- 139.12407 130.2
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