CID 116282

As-8026

Structural Information

Molecular Formula
C12H28N2O2
SMILES
C[N+]1(CCOCC1)CCOCC[N+](C)(C)C
InChI
InChI=1S/C12H28N2O2/c1-13(2,3)5-9-15-10-6-14(4)7-11-16-12-8-14/h5-12H2,1-4H3/q+2
InChIKey
ZHCDTLBCZZYOND-UHFFFAOYSA-N
Compound name
trimethyl-[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

232.21507 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.22235 151.5
[M+Na]+ 255.20429 155.1
[M-H]- 231.20779 154.9
[M+NH4]+ 250.24889 168.8
[M+K]+ 271.17823 145.4
[M+H-H2O]+ 215.21233 150.8
[M+HCOO]- 277.21327 168.9
[M+CH3COO]- 291.22892 183.4
[M+Na-2H]- 253.18974 163.9
[M]+ 232.21452 149.6
[M]- 232.21562 149.6
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.