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

4513
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.