CID 118843

35576-05-7

Structural Information

Molecular Formula
C18H33NO4
SMILES
CCCCCCCCCCCC(=O)OCC12COCN1COC2
InChI
InChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-17(20)23-14-18-12-21-15-19(18)16-22-13-18/h2-16H2,1H3
InChIKey
QRHOVIGWDUTIHK-UHFFFAOYSA-N
Compound name
1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-ylmethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.24097 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.24825 183.2
[M+Na]+ 350.23019 188.9
[M+NH4]+ 345.27479 190.0
[M+K]+ 366.20413 185.4
[M-H]- 326.23369 184.1
[M+Na-2H]- 348.21564 182.4
[M]+ 327.24042 183.9
[M]- 327.24152 183.9
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.