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]+ 322.201276 178.9
[M+Na]+ 344.183218 182.1
[M-H]- 320.186724 183.4
[M+NH4]+ 339.227823 190.0
[M+K]+ 360.157158 181.4
[M+H-H2O]+ 304.191260 169.7
[M+HCOO]- 366.192201 194.4
[M+CH3COO]- 380.207851 208.5
[M+Na-2H]- 342.168666 178.9
[M]+ 321.19345142 180.7
[M]- 321.19454858 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.