CID 3053858

Anc 102

Structural Information

Molecular Formula
C15H32N2O2
SMILES
CC[N+](C)(CC)CCOC(=O)C[N+]1(CCCCC1)C
InChI
InChI=1S/C15H32N2O2/c1-5-16(3,6-2)12-13-19-15(18)14-17(4)10-8-7-9-11-17/h5-14H2,1-4H3/q+2
InChIKey
LHTCFEVXJTWCRW-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[2-(1-methylpiperidin-1-ium-1-yl)acetyl]oxyethyl]azanium
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 164.7
[M+Na]+ 295.235588 167.1
[M-H]- 271.239094 167.0
[M+NH4]+ 290.280193 181.5
[M+K]+ 311.209528 155.7
[M+H-H2O]+ 255.243630 163.7
[M+HCOO]- 317.244571 181.2
[M+CH3COO]- 331.260221 191.0
[M+Na-2H]- 293.221036 173.4
[M]+ 272.24582142 161.9
[M]- 272.24691858 161.9
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.