CID 3066170

109647-44-1

Structural Information

Molecular Formula
C19H39N2O2
SMILES
CCCCCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)C
InChI
InChI=1S/C19H39N2O2/c1-4-6-7-8-9-10-11-12-13-16-21(3)17-14-20(15-18-21)19(22)23-5-2/h4-18H2,1-3H3/q+1
InChIKey
SRVGSCXVZOCHLM-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-4-undecylpiperazin-4-ium-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.30115 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.308426 185.8
[M+Na]+ 350.290368 187.7
[M-H]- 326.293874 184.5
[M+NH4]+ 345.334973 199.2
[M+K]+ 366.264308 179.4
[M+H-H2O]+ 310.298410 180.3
[M+HCOO]- 372.299351 199.3
[M+CH3COO]- 386.315001 204.3
[M+Na-2H]- 348.275816 187.6
[M]+ 327.30060142 186.3
[M]- 327.30169858 186.3
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.