CID 208477

T 2427

Structural Information

Molecular Formula
C18H27NO4
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCCN2CCOCC2
InChI
InChI=1S/C18H27NO4/c1-14(2)16-5-4-15(3)12-17(16)23-13-18(20)22-11-8-19-6-9-21-10-7-19/h4-5,12,14H,6-11,13H2,1-3H3
InChIKey
DLTYLFRGOQVFSX-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.194 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.20128 178.9
[M+Na]+ 344.18322 182.1
[M-H]- 320.18672 183.4
[M+NH4]+ 339.22782 190.0
[M+K]+ 360.15716 181.4
[M+H-H2O]+ 304.19126 169.7
[M+HCOO]- 366.19220 194.4
[M+CH3COO]- 380.20785 208.5
[M+Na-2H]- 342.16867 178.9
[M]+ 321.19345 180.7
[M]- 321.19455 180.7
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.