CID 10955621

Bis[(s)-4-isopropyl-4,5-dihydrooxazol-2-yl]methane

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 158.3
[M+Na]+ 261.15734 164.5
[M-H]- 237.16084 163.4
[M+NH4]+ 256.20194 174.2
[M+K]+ 277.13128 165.4
[M+H-H2O]+ 221.16538 151.4
[M+HCOO]- 283.16632 175.6
[M+CH3COO]- 297.18197 193.5
[M+Na-2H]- 259.14279 157.3
[M]+ 238.16757 160.4
[M]- 238.16867 160.4
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

patents stripe