CID 200444

2085-82-7

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCC(C(=O)OC1=C(C=CC=C1C)C)N2CCOCC2
InChI
InChI=1S/C16H23NO3/c1-4-14(17-8-10-19-11-9-17)16(18)20-15-12(2)6-5-7-13(15)3/h5-7,14H,4,8-11H2,1-3H3
InChIKey
OROCNIVPROKTPV-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl) 2-morpholin-4-ylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.2
[M+Na]+ 300.15702 177.9
[M+NH4]+ 295.20162 173.2
[M+K]+ 316.13096 172.4
[M-H]- 276.16052 170.2
[M+Na-2H]- 298.14247 171.2
[M]+ 277.16725 168.9
[M]- 277.16835 168.9
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.