CID 3056408

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

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CCC(C1=CC=CC=C1Cl)N2CCOC2
InChI
InChI=1S/C12H16ClNO/c1-2-12(14-7-8-15-9-14)10-5-3-4-6-11(10)13/h3-6,12H,2,7-9H2,1H3
InChIKey
SPMMVEMTFIEDJL-UHFFFAOYSA-N
Compound name
3-[1-(2-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 149.5
[M+Na]+ 248.08126 162.6
[M+NH4]+ 243.12586 158.8
[M+K]+ 264.05520 157.2
[M-H]- 224.08476 154.2
[M+Na-2H]- 246.06671 156.2
[M]+ 225.09149 153.0
[M]- 225.09259 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.