CID 3056412

3-(o-chloro-alpha-ethylbenzyl)-4-methyloxazolidine hydrochloride

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CCC(C1=CC=CC=C1Cl)N2COCC2C
InChI
InChI=1S/C13H18ClNO/c1-3-13(15-9-16-8-10(15)2)11-6-4-5-7-12(11)14/h4-7,10,13H,3,8-9H2,1-2H3
InChIKey
UTOUUFJHRBUNRA-UHFFFAOYSA-N
Compound name
3-[1-(2-chlorophenyl)propyl]-4-methyl-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

239.1077 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 153.7
[M+Na]+ 262.09692 167.0
[M+NH4]+ 257.14152 162.8
[M+K]+ 278.07086 161.6
[M-H]- 238.10042 158.4
[M+Na-2H]- 260.08237 159.9
[M]+ 239.10715 157.3
[M]- 239.10825 157.3
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.