CID 209939

20800-07-1

Structural Information

Molecular Formula
C17H25NO3
SMILES
CCCCC(=O)C1=CC=CC=C1OCCN2CCOCC2
InChI
InChI=1S/C17H25NO3/c1-2-3-7-16(19)15-6-4-5-8-17(15)21-14-11-18-9-12-20-13-10-18/h4-6,8H,2-3,7,9-14H2,1H3
InChIKey
RIJNGFWPJQMTMV-UHFFFAOYSA-N
Compound name
1-[2-(2-morpholin-4-ylethoxy)phenyl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.190716 171.4
[M+Na]+ 314.172658 174.4
[M-H]- 290.176164 175.5
[M+NH4]+ 309.217263 183.4
[M+K]+ 330.146598 172.7
[M+H-H2O]+ 274.180700 162.1
[M+HCOO]- 336.181641 187.9
[M+CH3COO]- 350.197291 201.9
[M+Na-2H]- 312.158106 173.7
[M]+ 291.18289142 171.6
[M]- 291.18398858 171.6
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.