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]+ 273.25365 161.8
[M+Na]+ 295.23559 166.7
[M-H]- 271.23909 162.4
[M+NH4]+ 290.28019 179.5
[M+K]+ 311.20953 155.0
[M+H-H2O]+ 255.24363 162.0
[M+HCOO]- 317.24457 174.7
[M+CH3COO]- 331.26022 186.4
[M+Na-2H]- 293.22104 170.9
[M]+ 272.24582 159.2
[M]- 272.24692 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.