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

16
Patents

307.17834 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.185616 174.5
[M+Na]+ 330.167558 177.2
[M-H]- 306.171064 178.8
[M+NH4]+ 325.212163 185.8
[M+K]+ 346.141498 176.7
[M+H-H2O]+ 290.175600 165.2
[M+HCOO]- 352.176541 190.3
[M+CH3COO]- 366.192191 204.3
[M+Na-2H]- 328.153006 175.7
[M]+ 307.17779142 175.5
[M]- 307.17888858 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