CID 11074512

Methyl (s)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate

Structural Information

Molecular Formula
C11H11NO3
SMILES
COC(=O)[C@@H]1COC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C11H11NO3/c1-14-11(13)9-7-15-10(12-9)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m0/s1
InChIKey
DVPGDAXTDJUMAS-VIFPVBQESA-N
Compound name
methyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

205.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 142.2
[M+Na]+ 228.06312 150.0
[M-H]- 204.06662 148.4
[M+NH4]+ 223.10772 160.1
[M+K]+ 244.03706 149.6
[M+H-H2O]+ 188.07116 135.1
[M+HCOO]- 250.07210 164.6
[M+CH3COO]- 264.08775 182.4
[M+Na-2H]- 226.04857 147.3
[M]+ 205.07335 144.0
[M]- 205.07445 144.0
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