CID 39392

43148-98-7

Structural Information

Molecular Formula
C15H15NO5
SMILES
C#CCOCC1CN(C(=O)O1)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C15H15NO5/c1-2-7-20-10-13-9-16(15(19)21-13)12-5-3-11(4-6-12)8-14(17)18/h1,3-6,13H,7-10H2,(H,17,18)
InChIKey
SBQMWXMHHZYIMI-UHFFFAOYSA-N
Compound name
2-[4-[2-oxo-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-3-yl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09503 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10231 163.7
[M+Na]+ 312.08425 173.7
[M+NH4]+ 307.12885 165.5
[M+K]+ 328.05819 168.0
[M-H]- 288.08775 157.0
[M+Na-2H]- 310.06970 163.7
[M]+ 289.09448 162.1
[M]- 289.09558 162.1
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

No patent data available for this compound.