CID 197808

4,4-dimethyl-2-hydroxy-2-phenylmorpholinium bromide

Structural Information

Molecular Formula
C12H18NO2
SMILES
C[N+]1(CCOC(C1)(C2=CC=CC=C2)O)C
InChI
InChI=1S/C12H18NO2/c1-13(2)8-9-15-12(14,10-13)11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3/q+1
InChIKey
BIGNZUAOMJYPRO-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

19
Patents

208.13376 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.14104 144.9
[M+Na]+ 231.12298 151.6
[M-H]- 207.12648 149.8
[M+NH4]+ 226.16758 164.2
[M+K]+ 247.09692 144.9
[M+H-H2O]+ 191.13102 141.2
[M+HCOO]- 253.13196 162.0
[M+CH3COO]- 267.14761 174.9
[M+Na-2H]- 229.10843 155.2
[M]+ 208.13321 140.7
[M]- 208.13431 140.7
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

patents stripe