CID 50839

2-phenylacetic acid (2-morpholinoethyl) ester hydrochloride hydrate

Structural Information

Molecular Formula
C14H21NO3
SMILES
C1COCCN1CCOC(CC2=CC=CC=C2)O
InChI
InChI=1S/C14H21NO3/c16-14(12-13-4-2-1-3-5-13)18-11-8-15-6-9-17-10-7-15/h1-5,14,16H,6-12H2
InChIKey
GQISPZNDCKRKMR-UHFFFAOYSA-N
Compound name
1-(2-morpholin-4-ylethoxy)-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.1
[M+Na]+ 274.14137 161.7
[M-H]- 250.14487 162.0
[M+NH4]+ 269.18597 171.8
[M+K]+ 290.11531 160.5
[M+H-H2O]+ 234.14941 150.4
[M+HCOO]- 296.15035 175.0
[M+CH3COO]- 310.16600 190.1
[M+Na-2H]- 272.12682 163.2
[M]+ 251.15160 156.7
[M]- 251.15270 156.7
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.