CID 129188919

(s)-3-phenylisoxazolidine hydrochloride

Structural Information

Molecular Formula
C9H11NO
SMILES
C1CON[C@@H]1C2=CC=CC=C2
InChI
InChI=1S/C9H11NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-5,9-10H,6-7H2/t9-/m0/s1
InChIKey
SZBQTXQFIXPDKF-VIFPVBQESA-N
Compound name
(3S)-3-phenyl-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

149.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 129.5
[M+Na]+ 172.073278 135.8
[M-H]- 148.076784 133.7
[M+NH4]+ 167.117883 148.8
[M+K]+ 188.047218 134.3
[M+H-H2O]+ 132.081320 122.9
[M+HCOO]- 194.082261 150.0
[M+CH3COO]- 208.097911 142.7
[M+Na-2H]- 170.058726 136.1
[M]+ 149.08351142 125.4
[M]- 149.08460858 125.4
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