CID 3066189

109698-31-9

Structural Information

Molecular Formula
C16H33N2O2
SMILES
CCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)C
InChI
InChI=1S/C16H33N2O2/c1-4-6-7-8-9-10-13-18(3)14-11-17(12-15-18)16(19)20-5-2/h4-15H2,1-3H3/q+1
InChIKey
FHUHEURCVABKNA-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-4-octylpiperazin-4-ium-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.2542 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.26148 172.4
[M+Na]+ 308.24342 175.6
[M-H]- 284.24692 171.7
[M+NH4]+ 303.28802 187.5
[M+K]+ 324.21736 168.1
[M+H-H2O]+ 268.25146 167.5
[M+HCOO]- 330.25240 186.9
[M+CH3COO]- 344.26805 195.3
[M+Na-2H]- 306.22887 175.8
[M]+ 285.25365 171.9
[M]- 285.25475 171.9
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.