CID 200983

3042-78-2

Structural Information

Molecular Formula
C14H20NO2
SMILES
CC[N+]1(CCOC(=O)C1C2=CC=CC=C2)CC
InChI
InChI=1S/C14H20NO2/c1-3-15(4-2)10-11-17-14(16)13(15)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/q+1
InChIKey
KMHHDUYZEDTDQZ-UHFFFAOYSA-N
Compound name
4,4-diethyl-3-phenylmorpholin-4-ium-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1494 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15668 152.9
[M+Na]+ 257.13862 159.4
[M-H]- 233.14212 158.7
[M+NH4]+ 252.18322 170.0
[M+K]+ 273.11256 152.1
[M+H-H2O]+ 217.14666 148.2
[M+HCOO]- 279.14760 171.0
[M+CH3COO]- 293.16325 184.0
[M+Na-2H]- 255.12407 160.8
[M]+ 234.14885 150.4
[M]- 234.14995 150.4
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.