CID 209939

Valerophenone, 2'-(2-morpholinoethoxy)-, hydrochloride

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]+ 292.19072 171.4
[M+Na]+ 314.17266 174.4
[M-H]- 290.17616 175.5
[M+NH4]+ 309.21726 183.4
[M+K]+ 330.14660 172.7
[M+H-H2O]+ 274.18070 162.1
[M+HCOO]- 336.18164 187.9
[M+CH3COO]- 350.19729 201.9
[M+Na-2H]- 312.15811 173.7
[M]+ 291.18289 171.6
[M]- 291.18399 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.