CID 12059918

1-methyl-1-propylpyrrolidinium iodide

Structural Information

Molecular Formula
C8H18N
SMILES
CCC[N+]1(CCCC1)C
InChI
InChI=1S/C8H18N/c1-3-6-9(2)7-4-5-8-9/h3-8H2,1-2H3/q+1
InChIKey
YQFWGCSKGJMGHE-UHFFFAOYSA-N
Compound name
1-methyl-1-propylpyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4907
Patents

128.14392 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.15120 127.4
[M+Na]+ 151.13314 133.9
[M-H]- 127.13664 129.4
[M+NH4]+ 146.17774 151.9
[M+K]+ 167.10708 127.8
[M+H-H2O]+ 111.14118 125.0
[M+HCOO]- 173.14212 148.4
[M+CH3COO]- 187.15777 165.3
[M+Na-2H]- 149.11859 135.3
[M]+ 128.14337 123.8
[M]- 128.14447 123.8
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