CID 116309

As-8101

Structural Information

Molecular Formula
C14H32N2O2
SMILES
CC[N+](C)(CC)CCOCC[N+]1(CCOCC1)C
InChI
InChI=1S/C14H32N2O2/c1-5-15(3,6-2)7-11-17-12-8-16(4)9-13-18-14-10-16/h5-14H2,1-4H3/q+2
InChIKey
SUUWFCGJIVPMJN-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.24637 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.25365 160.8
[M+Na]+ 283.23559 163.6
[M-H]- 259.23909 163.8
[M+NH4]+ 278.28019 177.0
[M+K]+ 299.20953 153.5
[M+H-H2O]+ 243.24363 159.7
[M+HCOO]- 305.24457 177.5
[M+CH3COO]- 319.26022 189.4
[M+Na-2H]- 281.22104 172.2
[M]+ 260.24582 159.7
[M]- 260.24692 159.7
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.