CID 3076618

131962-90-8

Structural Information

Molecular Formula
C17H25NO4
SMILES
CC1=CC(=CC=C1)C(COCCN2CCOCC2)OC(=O)C
InChI
InChI=1S/C17H25NO4/c1-14-4-3-5-16(12-14)17(22-15(2)19)13-21-11-8-18-6-9-20-10-7-18/h3-5,12,17H,6-11,13H2,1-2H3
InChIKey
JAIOLZALHYEOJT-UHFFFAOYSA-N
Compound name
[1-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

307.17834 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18562 173.8
[M+Na]+ 330.16756 184.4
[M+NH4]+ 325.21216 180.0
[M+K]+ 346.14150 179.0
[M-H]- 306.17106 177.1
[M+Na-2H]- 328.15301 178.3
[M]+ 307.17779 176.0
[M]- 307.17889 176.0
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

patents stripe