CID 688276

7a-ethyl-3,5-bis(1-methylethyl)-2,3,4,5-tetrahydrooxazolo(3,4-c)-2,3,4,5-tetrahydrooxazole

Structural Information

Molecular Formula
C13H25NO2
SMILES
CCC12CO[C@H](N1[C@@H](OC2)C(C)C)C(C)C
InChI
InChI=1S/C13H25NO2/c1-6-13-7-15-11(9(2)3)14(13)12(10(4)5)16-8-13/h9-12H,6-8H2,1-5H3/t11-,12-/m0/s1
InChIKey
ZFNYRUONSKXJOW-RYUDHWBXSA-N
Compound name
(3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

227.18852 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.19580 154.6
[M+Na]+ 250.17774 162.7
[M+NH4]+ 245.22234 163.7
[M+K]+ 266.15168 160.6
[M-H]- 226.18124 157.0
[M+Na-2H]- 248.16319 155.5
[M]+ 227.18797 156.4
[M]- 227.18907 156.4
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.