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 166.8
[M+Na]+ 300.15702 171.1
[M-H]- 276.16052 171.8
[M+NH4]+ 295.20162 179.9
[M+K]+ 316.13096 170.2
[M+H-H2O]+ 260.16506 158.3
[M+HCOO]- 322.16600 182.8
[M+CH3COO]- 336.18165 200.4
[M+Na-2H]- 298.14247 167.8
[M]+ 277.16725 166.5
[M]- 277.16835 166.5
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.