CID 118843

1h,3h,5h-oxazolo(3,4-c)oxazol-7a(7h)-ylmethyl laurate

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 184.1
[M+Na]+ 350.23019 186.5
[M-H]- 326.23369 186.0
[M+NH4]+ 345.27479 200.1
[M+K]+ 366.20413 186.4
[M+H-H2O]+ 310.23823 177.9
[M+HCOO]- 372.23917 199.3
[M+CH3COO]- 386.25482 206.7
[M+Na-2H]- 348.21564 184.3
[M]+ 327.24042 189.3
[M]- 327.24152 189.3
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.