CID 426895

73771-90-1

Structural Information

Molecular Formula
C13H27N2
SMILES
CC[N+]1(CCCCC1)CN2CCCCC2
InChI
InChI=1S/C13H27N2/c1-2-15(11-7-4-8-12-15)13-14-9-5-3-6-10-14/h2-13H2,1H3/q+1
InChIKey
OBXPHAMTVXWVDG-UHFFFAOYSA-N
Compound name
1-ethyl-1-(piperidin-1-ylmethyl)piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.21742 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.22470 153.8
[M+Na]+ 234.20664 155.2
[M-H]- 210.21014 155.6
[M+NH4]+ 229.25124 170.8
[M+K]+ 250.18058 147.5
[M+H-H2O]+ 194.21468 147.6
[M+HCOO]- 256.21562 166.7
[M+CH3COO]- 270.23127 179.8
[M+Na-2H]- 232.19209 159.3
[M]+ 211.21687 143.4
[M]- 211.21797 143.4
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.