CID 437750

4,4-dimethyl-2-(4-phenylphenyl)morpholin-4-ium-2-ol

Structural Information

Molecular Formula
C18H22NO2
SMILES
C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=CC=C3)O)C
InChI
InChI=1S/C18H22NO2/c1-19(2)12-13-21-18(20,14-19)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,20H,12-14H2,1-2H3/q+1
InChIKey
PMSXSWATYUZVRA-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-(4-phenylphenyl)morpholin-4-ium-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.16504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17232 168.2
[M+Na]+ 307.15426 174.5
[M-H]- 283.15776 175.9
[M+NH4]+ 302.19886 183.9
[M+K]+ 323.12820 165.8
[M+H-H2O]+ 267.16230 161.9
[M+HCOO]- 329.16324 184.5
[M+CH3COO]- 343.17889 190.1
[M+Na-2H]- 305.13971 176.5
[M]+ 284.16449 163.7
[M]- 284.16559 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.