CID 107360

4982-84-7

Structural Information

Molecular Formula
C18H30N2O4
SMILES
C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3(C[N+](CCO3)(C)C)O)O)C
InChI
InChI=1S/C18H30N2O4/c1-19(2)9-11-23-17(21,13-19)15-5-7-16(8-6-15)18(22)14-20(3,4)10-12-24-18/h5-8,21-22H,9-14H2,1-4H3/q+2
InChIKey
LIMQEZNXCRAPBS-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]-4,4-dimethylmorpholin-4-ium-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.22055 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22783 173.3
[M+Na]+ 361.20977 188.4
[M+NH4]+ 356.25437 187.2
[M+K]+ 377.18371 177.7
[M-H]- 337.21327 182.4
[M+Na-2H]- 359.19522 185.4
[M]+ 338.22000 179.4
[M]- 338.22110 179.4
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.