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 176.2
[M+Na]+ 361.20977 181.4
[M-H]- 337.21327 181.8
[M+NH4]+ 356.25437 190.0
[M+K]+ 377.18371 170.3
[M+H-H2O]+ 321.21781 172.9
[M+HCOO]- 383.21875 184.2
[M+CH3COO]- 397.23440 191.1
[M+Na-2H]- 359.19522 186.6
[M]+ 338.22000 169.9
[M]- 338.22110 169.9
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.