CID 116319

As-8102

Structural Information

Molecular Formula
C16H36N2O2
SMILES
CC[N+]1(CCOCC1)CCOCC[N+](CC)(CC)CC
InChI
InChI=1S/C16H36N2O2/c1-5-17(6-2,7-3)9-13-19-14-10-18(8-4)11-15-20-16-12-18/h5-16H2,1-4H3/q+2
InChIKey
POLCEGLJHJXJBY-UHFFFAOYSA-N
Compound name
triethyl-[2-[2-(4-ethylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.27768 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.28496 170.1
[M+Na]+ 311.26690 172.1
[M-H]- 287.27040 172.7
[M+NH4]+ 306.31150 185.2
[M+K]+ 327.24084 161.4
[M+H-H2O]+ 271.27494 168.6
[M+HCOO]- 333.27588 186.1
[M+CH3COO]- 347.29153 195.4
[M+Na-2H]- 309.25235 180.4
[M]+ 288.27713 169.7
[M]- 288.27823 169.7
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.