CID 11607926

3-(but-3-yn-1-yl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C7H9NO2
SMILES
C#CCCN1CCOC1=O
InChI
InChI=1S/C7H9NO2/c1-2-3-4-8-5-6-10-7(8)9/h1H,3-6H2
InChIKey
RYLAZYLTMZVHST-UHFFFAOYSA-N
Compound name
3-but-3-ynyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

139.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 122.8
[M+Na]+ 162.052538 132.7
[M-H]- 138.056044 123.7
[M+NH4]+ 157.097143 141.2
[M+K]+ 178.026478 131.2
[M+H-H2O]+ 122.060580 110.7
[M+HCOO]- 184.061521 138.7
[M+CH3COO]- 198.077171 180.5
[M+Na-2H]- 160.037986 127.6
[M]+ 139.06277142 117.5
[M]- 139.06386858 117.5
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