CID 5245884

1-methyl-3-propylimidazolium iodide

Structural Information

Molecular Formula
C7H13N2
SMILES
CCCN1C=C[N+](=C1)C
InChI
InChI=1S/C7H13N2/c1-3-4-9-6-5-8(2)7-9/h5-7H,3-4H2,1-2H3/q+1
InChIKey
WVDDUSFOSWWJJH-UHFFFAOYSA-N
Compound name
1-methyl-3-propylimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5339
Patents

125.10787 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.11515 125.4
[M+Na]+ 148.09709 134.6
[M-H]- 124.10059 126.9
[M+NH4]+ 143.14169 146.9
[M+K]+ 164.07103 128.2
[M+H-H2O]+ 108.10513 121.6
[M+HCOO]- 170.10607 148.5
[M+CH3COO]- 184.12172 165.6
[M+Na-2H]- 146.08254 134.0
[M]+ 125.10732 125.4
[M]- 125.10842 125.4
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