CID 3066334

110029-79-3

Structural Information

Molecular Formula
C17H35N2O2
SMILES
CCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)CC
InChI
InChI=1S/C17H35N2O2/c1-4-7-8-9-10-11-14-19(5-2)15-12-18(13-16-19)17(20)21-6-3/h4-16H2,1-3H3/q+1
InChIKey
CEUMLCLTEUOLIB-UHFFFAOYSA-N
Compound name
ethyl 4-ethyl-4-octylpiperazin-4-ium-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.26987 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.277146 176.9
[M+Na]+ 322.259088 179.6
[M-H]- 298.262594 176.0
[M+NH4]+ 317.303693 191.4
[M+K]+ 338.233028 171.9
[M+H-H2O]+ 282.267130 171.8
[M+HCOO]- 344.268071 191.1
[M+CH3COO]- 358.283721 198.3
[M+Na-2H]- 320.244536 179.7
[M]+ 299.26932142 176.7
[M]- 299.27041858 176.7
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.