CID 719469

(4s,5s)-(-)-2-methyl-5-phenyl-2-oxazoline-4-methanol

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1=N[C@H]([C@@H](O1)C2=CC=CC=C2)CO
InChI
InChI=1S/C11H13NO2/c1-8-12-10(7-13)11(14-8)9-5-3-2-4-6-9/h2-6,10-11,13H,7H2,1H3/t10-,11-/m0/s1
InChIKey
NTCJMVHDZUBYNA-QWRGUYRKSA-N
Compound name
[(4S,5S)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

191.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 140.0
[M+Na]+ 214.083858 148.4
[M-H]- 190.087364 145.1
[M+NH4]+ 209.128463 158.3
[M+K]+ 230.057798 146.6
[M+H-H2O]+ 174.091900 133.4
[M+HCOO]- 236.092841 161.6
[M+CH3COO]- 250.108491 179.5
[M+Na-2H]- 212.069306 145.1
[M]+ 191.09409142 140.4
[M]- 191.09518858 140.4
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