CID 3394089

5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine

Structural Information

Molecular Formula
C12H16ClNO3
SMILES
COC1=CC(=C(C=C1)C2NCC(O2)CCl)OC
InChI
InChI=1S/C12H16ClNO3/c1-15-8-3-4-10(11(5-8)16-2)12-14-7-9(6-13)17-12/h3-5,9,12,14H,6-7H2,1-2H3
InChIKey
CQHZVDXJJIDZJS-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08188 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08916 156.3
[M+Na]+ 280.07110 164.6
[M-H]- 256.07460 160.9
[M+NH4]+ 275.11570 172.8
[M+K]+ 296.04504 161.5
[M+H-H2O]+ 240.07914 150.0
[M+HCOO]- 302.08008 171.5
[M+CH3COO]- 316.09573 190.0
[M+Na-2H]- 278.05655 158.6
[M]+ 257.08133 159.3
[M]- 257.08243 159.3
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.