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]+ 233.222346 151.5
[M+Na]+ 255.204288 155.1
[M-H]- 231.207794 154.9
[M+NH4]+ 250.248893 168.8
[M+K]+ 271.178228 145.4
[M+H-H2O]+ 215.212330 150.8
[M+HCOO]- 277.213271 168.9
[M+CH3COO]- 291.228921 183.4
[M+Na-2H]- 253.189736 163.9
[M]+ 232.21452142 149.6
[M]- 232.21561858 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.