CID 211831

23598-56-3

Structural Information

Molecular Formula
C14H15NO3
SMILES
C#CCOCC1CN(C(=O)O1)CC2=CC=CC=C2
InChI
InChI=1S/C14H15NO3/c1-2-8-17-11-13-10-15(14(16)18-13)9-12-6-4-3-5-7-12/h1,3-7,13H,8-11H2
InChIKey
SAASGNVPSABDSR-UHFFFAOYSA-N
Compound name
3-benzyl-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 151.4
[M+Na]+ 268.09442 161.0
[M-H]- 244.09792 154.5
[M+NH4]+ 263.13902 165.7
[M+K]+ 284.06836 156.7
[M+H-H2O]+ 228.10246 137.6
[M+HCOO]- 290.10340 166.7
[M+CH3COO]- 304.11905 198.2
[M+Na-2H]- 266.07987 153.7
[M]+ 245.10465 147.5
[M]- 245.10575 147.5
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.