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 174.5
[M+Na]+ 330.16756 177.2
[M-H]- 306.17106 178.8
[M+NH4]+ 325.21216 185.8
[M+K]+ 346.14150 176.7
[M+H-H2O]+ 290.17560 165.2
[M+HCOO]- 352.17654 190.3
[M+CH3COO]- 366.19219 204.3
[M+Na-2H]- 328.15301 175.7
[M]+ 307.17779 175.5
[M]- 307.17889 175.5
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