CID 208357

32041-77-3

Structural Information

Molecular Formula
C15H32N2O2
SMILES
CC(C)(C)C(=O)OCCC[N+]1(CC[N+](CC1)(C)C)C
InChI
InChI=1S/C15H32N2O2/c1-15(2,3)14(18)19-13-7-8-17(6)11-9-16(4,5)10-12-17/h7-13H2,1-6H3/q+2
InChIKey
RYRZRZKGKHNUJJ-UHFFFAOYSA-N
Compound name
3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.24637 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.253646 161.8
[M+Na]+ 295.235588 166.7
[M-H]- 271.239094 162.4
[M+NH4]+ 290.280193 179.5
[M+K]+ 311.209528 155.0
[M+H-H2O]+ 255.243630 162.0
[M+HCOO]- 317.244571 174.7
[M+CH3COO]- 331.260221 186.4
[M+Na-2H]- 293.221036 170.9
[M]+ 272.24582142 159.2
[M]- 272.24691858 159.2
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.