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

14
Patents

238.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.175396 158.3
[M+Na]+ 261.157338 164.5
[M-H]- 237.160844 163.4
[M+NH4]+ 256.201943 174.2
[M+K]+ 277.131278 165.4
[M+H-H2O]+ 221.165380 151.4
[M+HCOO]- 283.166321 175.6
[M+CH3COO]- 297.181971 193.5
[M+Na-2H]- 259.142786 157.3
[M]+ 238.16757142 160.4
[M]- 238.16866858 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