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]+ 258.089156 156.3
[M+Na]+ 280.071098 164.6
[M-H]- 256.074604 160.9
[M+NH4]+ 275.115703 172.8
[M+K]+ 296.045038 161.5
[M+H-H2O]+ 240.079140 150.0
[M+HCOO]- 302.080081 171.5
[M+CH3COO]- 316.095731 190.0
[M+Na-2H]- 278.056546 158.6
[M]+ 257.08133142 159.3
[M]- 257.08242858 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.