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 161.9
[M+Na]+ 312.08425 171.0
[M-H]- 288.08775 164.0
[M+NH4]+ 307.12885 173.8
[M+K]+ 328.05819 167.1
[M+H-H2O]+ 272.09229 148.3
[M+HCOO]- 334.09323 175.1
[M+CH3COO]- 348.10888 203.7
[M+Na-2H]- 310.06970 161.7
[M]+ 289.09448 158.3
[M]- 289.09558 158.3
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.