CID 10955621

131833-90-4

Structural Information

Molecular Formula
C13H22N2O2
SMILES
CC(C)[C@H]1COC(=N1)CC2=N[C@H](CO2)C(C)C
InChI
InChI=1S/C13H22N2O2/c1-8(2)10-6-16-12(14-10)5-13-15-11(7-17-13)9(3)4/h8-11H,5-7H2,1-4H3/t10-,11-/m1/s1
InChIKey
KEHOIBBPRFRZFW-GHMZBOCLSA-N
Compound name
(4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-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

15
Patents

238.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17540 156.3
[M+Na]+ 261.15734 166.0
[M+NH4]+ 256.20194 163.1
[M+K]+ 277.13128 165.9
[M-H]- 237.16084 159.8
[M+Na-2H]- 259.14279 158.8
[M]+ 238.16757 158.5
[M]- 238.16867 158.5
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

patents stripe