CID 3056574

3-(m-chloro-alpha-ethylbenzyl)oxazolidine hydrochloride

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CCC(C1=CC(=CC=C1)Cl)N2CCOC2
InChI
InChI=1S/C12H16ClNO/c1-2-12(14-6-7-15-9-14)10-4-3-5-11(13)8-10/h3-5,8,12H,2,6-7,9H2,1H3
InChIKey
IYTDIFBLPIVFST-UHFFFAOYSA-N
Compound name
3-[1-(3-chlorophenyl)propyl]-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09204 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 151.1
[M+Na]+ 248.08126 157.9
[M-H]- 224.08476 156.3
[M+NH4]+ 243.12586 169.0
[M+K]+ 264.05520 155.0
[M+H-H2O]+ 208.08930 144.2
[M+HCOO]- 270.09024 166.2
[M+CH3COO]- 284.10589 187.0
[M+Na-2H]- 246.06671 153.8
[M]+ 225.09149 151.5
[M]- 225.09259 151.5
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.