CID 3053868

Anc 116

Structural Information

Molecular Formula
C14H28N2O4
SMILES
C[N+]1(CCOCC1)CCOC(=O)C[N+]2(CCOCC2)C
InChI
InChI=1S/C14H28N2O4/c1-15(3-8-18-9-4-15)7-12-20-14(17)13-16(2)5-10-19-11-6-16/h3-13H2,1-2H3/q+2
InChIKey
CVELGGSJSWBITK-UHFFFAOYSA-N
Compound name
2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(4-methylmorpholin-4-ium-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.2049 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21218 166.4
[M+Na]+ 311.19412 168.1
[M-H]- 287.19762 169.9
[M+NH4]+ 306.23872 179.2
[M+K]+ 327.16806 158.9
[M+H-H2O]+ 271.20216 163.4
[M+HCOO]- 333.20310 176.6
[M+CH3COO]- 347.21875 184.0
[M+Na-2H]- 309.17957 175.9
[M]+ 288.20435 160.7
[M]- 288.20545 160.7
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.