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 156.5
[M+Na]+ 250.17774 162.7
[M-H]- 226.18124 160.3
[M+NH4]+ 245.22234 177.5
[M+K]+ 266.15168 163.7
[M+H-H2O]+ 210.18578 152.4
[M+HCOO]- 272.18672 171.8
[M+CH3COO]- 286.20237 192.6
[M+Na-2H]- 248.16319 156.8
[M]+ 227.18797 158.1
[M]- 227.18907 158.1
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.