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
3
Annotation Hits

0
References

29
Patents

227.18852 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.195796 156.5
[M+Na]+ 250.177738 162.7
[M-H]- 226.181244 160.3
[M+NH4]+ 245.222343 177.5
[M+K]+ 266.151678 163.7
[M+H-H2O]+ 210.185780 152.4
[M+HCOO]- 272.186721 171.8
[M+CH3COO]- 286.202371 192.6
[M+Na-2H]- 248.163186 156.8
[M]+ 227.18797142 158.1
[M]- 227.18906858 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.