CID 3053864

Anc 104

Structural Information

Molecular Formula
C14H30N2O3
SMILES
CC[N+](C)(CC)CCOC(=O)C[N+]1(CCOCC1)C
InChI
InChI=1S/C14H30N2O3/c1-5-15(3,6-2)9-12-19-14(17)13-16(4)7-10-18-11-8-16/h5-13H2,1-4H3/q+2
InChIKey
JZIYAZLFJRKSGC-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.22565 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.23293 162.7
[M+Na]+ 297.21487 165.5
[M-H]- 273.21837 165.8
[M+NH4]+ 292.25947 178.1
[M+K]+ 313.18881 155.6
[M+H-H2O]+ 257.22291 161.7
[M+HCOO]- 319.22385 178.8
[M+CH3COO]- 333.23950 190.0
[M+Na-2H]- 295.20032 173.2
[M]+ 274.22510 161.5
[M]- 274.22620 161.5
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.