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]+ 273.25365 164.7
[M+Na]+ 295.23559 167.1
[M-H]- 271.23909 167.0
[M+NH4]+ 290.28019 181.5
[M+K]+ 311.20953 155.7
[M+H-H2O]+ 255.24363 163.7
[M+HCOO]- 317.24457 181.2
[M+CH3COO]- 331.26022 191.0
[M+Na-2H]- 293.22104 173.4
[M]+ 272.24582 161.9
[M]- 272.24692 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.