CID 430074

57420-66-3

Structural Information

Molecular Formula
C18H38N
SMILES
CCCCCCCCCCC[N+]1(CCCCC1)CC
InChI
InChI=1S/C18H38N/c1-3-5-6-7-8-9-10-11-13-16-19(4-2)17-14-12-15-18-19/h3-18H2,1-2H3/q+1
InChIKey
AKRFXXRCDMCVHI-UHFFFAOYSA-N
Compound name
1-ethyl-1-undecylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.3004 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.30768 172.8
[M+Na]+ 291.28962 174.0
[M-H]- 267.29312 172.6
[M+NH4]+ 286.33422 189.7
[M+K]+ 307.26356 165.3
[M+H-H2O]+ 251.29766 168.1
[M+HCOO]- 313.29860 188.3
[M+CH3COO]- 327.31425 195.7
[M+Na-2H]- 289.27507 176.4
[M]+ 268.29985 170.8
[M]- 268.30095 170.8
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.