CID 112265

1-ethyl-1-methylpyrrolidinium

Structural Information

Molecular Formula
C7H16N
SMILES
CC[N+]1(CCCC1)C
InChI
InChI=1S/C7H16N/c1-3-8(2)6-4-5-7-8/h3-7H2,1-2H3/q+1
InChIKey
NIHOUJYFWMURBG-UHFFFAOYSA-N
Compound name
1-ethyl-1-methylpyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

4027
Patents

114.12827 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.135546 122.7
[M+Na]+ 137.117488 129.7
[M-H]- 113.120994 124.9
[M+NH4]+ 132.162093 147.8
[M+K]+ 153.091428 123.8
[M+H-H2O]+ 97.125530 120.6
[M+HCOO]- 159.126471 144.1
[M+CH3COO]- 173.142121 162.3
[M+Na-2H]- 135.102936 131.1
[M]+ 114.12772142 118.8
[M]- 114.12881858 118.8
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