CID 10219589

132127-34-5

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1=CC=C(C=C1)[C@H]2[C@H](C(=O)N2)O
InChI
InChI=1S/C9H9NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,10,12)/t7-,8+/m0/s1
InChIKey
FBZSDKXFQUKDLD-JGVFFNPUSA-N
Compound name
(3R,4S)-3-hydroxy-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

163.06332 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 130.3
[M+Na]+ 186.05254 137.3
[M-H]- 162.05604 133.3
[M+NH4]+ 181.09714 142.0
[M+K]+ 202.02648 137.1
[M+H-H2O]+ 146.06058 119.0
[M+HCOO]- 208.06152 149.5
[M+CH3COO]- 222.07717 176.0
[M+Na-2H]- 184.03799 135.9
[M]+ 163.06277 135.8
[M]- 163.06387 135.8
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