CID 54595792

3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one hydrochloride

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1CNCC2=C1C(=CC=C2)N3CCOC3=O
InChI
InChI=1S/C12H14N2O2/c15-12-14(6-7-16-12)11-3-1-2-9-8-13-5-4-10(9)11/h1-3,13H,4-8H2
InChIKey
GEEDIKXYZLKGCK-UHFFFAOYSA-N
Compound name
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 147.7
[M+Na]+ 241.09475 154.2
[M-H]- 217.09825 151.2
[M+NH4]+ 236.13935 163.8
[M+K]+ 257.06869 151.2
[M+H-H2O]+ 201.10279 139.7
[M+HCOO]- 263.10373 163.1
[M+CH3COO]- 277.11938 158.9
[M+Na-2H]- 239.08020 151.7
[M]+ 218.10498 142.6
[M]- 218.10608 142.6
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.