CID 71133

Promolate

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC(C)(C(=O)OCCN1CCOCC1)OC2=CC=CC=C2
InChI
InChI=1S/C16H23NO4/c1-16(2,21-14-6-4-3-5-7-14)15(18)20-13-10-17-8-11-19-12-9-17/h3-7H,8-13H2,1-2H3
InChIKey
GMISKEUWHIRDNK-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-methyl-2-phenoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

101
Patents

293.16272 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 169.2
[M+Na]+ 316.15194 172.1
[M-H]- 292.15544 173.6
[M+NH4]+ 311.19654 181.1
[M+K]+ 332.12588 171.9
[M+H-H2O]+ 276.15998 160.5
[M+HCOO]- 338.16092 184.8
[M+CH3COO]- 352.17657 199.7
[M+Na-2H]- 314.13739 173.9
[M]+ 293.16217 169.6
[M]- 293.16327 169.6
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