CID 20154

1-ethyl-1-methylpiperidinium iodide

Structural Information

Molecular Formula
C8H18N
SMILES
CC[N+]1(CCCCC1)C
InChI
InChI=1S/C8H18N/c1-3-9(2)7-5-4-6-8-9/h3-8H2,1-2H3/q+1
InChIKey
WACRAFUNNYGNEQ-UHFFFAOYSA-N
Compound name
1-ethyl-1-methylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1896
Patents

128.14392 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.15120 127.2
[M+Na]+ 151.13314 132.7
[M-H]- 127.13664 129.0
[M+NH4]+ 146.17774 149.8
[M+K]+ 167.10708 126.7
[M+H-H2O]+ 111.14118 124.6
[M+HCOO]- 173.14212 146.1
[M+CH3COO]- 187.15777 165.4
[M+Na-2H]- 149.11859 136.3
[M]+ 128.14337 121.5
[M]- 128.14447 121.5
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

patents stripe