CID 688207

131833-91-5

Structural Information

Molecular Formula
C15H26N2O2
SMILES
CC(C)(C)[C@@H]1COC(=N1)CC2=N[C@@H](CO2)C(C)(C)C
InChI
InChI=1S/C15H26N2O2/c1-14(2,3)10-8-18-12(16-10)7-13-17-11(9-19-13)15(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKey
WCCCBUXURHZPQL-QWRGUYRKSA-N
Compound name
(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

266.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.20671 165.4
[M+Na]+ 289.18865 172.2
[M-H]- 265.19215 170.8
[M+NH4]+ 284.23325 180.8
[M+K]+ 305.16259 172.8
[M+H-H2O]+ 249.19669 159.7
[M+HCOO]- 311.19763 180.9
[M+CH3COO]- 325.21328 197.4
[M+Na-2H]- 287.17410 168.0
[M]+ 266.19888 168.3
[M]- 266.19998 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe