CID 3034966

(-)-2,6-dimethoxyphenyl-2-morpholinopropionate hydrochloride

Structural Information

Molecular Formula
C15H21NO5
SMILES
C[C@H](C(=O)OC1=C(C=CC=C1OC)OC)N2CCOCC2
InChI
InChI=1S/C15H21NO5/c1-11(16-7-9-20-10-8-16)15(17)21-14-12(18-2)5-4-6-13(14)19-3/h4-6,11H,7-10H2,1-3H3/t11-/m1/s1
InChIKey
QCQWVVNWUYVAGV-LLVKDONJSA-N
Compound name
(2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.14197 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14925 167.5
[M+Na]+ 318.13119 171.9
[M-H]- 294.13469 172.7
[M+NH4]+ 313.17579 179.7
[M+K]+ 334.10513 172.6
[M+H-H2O]+ 278.13923 158.8
[M+HCOO]- 340.14017 184.3
[M+CH3COO]- 354.15582 201.7
[M+Na-2H]- 316.11664 169.3
[M]+ 295.14142 169.8
[M]- 295.14252 169.8
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.