CID 293660

36871-41-7

Structural Information

Molecular Formula
C16H27NO5
SMILES
CCOC(=O)C(CCC1=NC(CC(O1)C)(C)C)C(=O)OCC
InChI
InChI=1S/C16H27NO5/c1-6-20-14(18)12(15(19)21-7-2)8-9-13-17-16(4,5)10-11(3)22-13/h11-12H,6-10H2,1-5H3
InChIKey
CEFTXCTXSYAMSZ-UHFFFAOYSA-N
Compound name
diethyl 2-[2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.18893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.19621 173.6
[M+Na]+ 336.17815 178.5
[M-H]- 312.18165 175.7
[M+NH4]+ 331.22275 187.7
[M+K]+ 352.15209 179.7
[M+H-H2O]+ 296.18619 167.1
[M+HCOO]- 358.18713 189.3
[M+CH3COO]- 372.20278 207.5
[M+Na-2H]- 334.16360 173.9
[M]+ 313.18838 179.4
[M]- 313.18948 179.4
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.