CID 34876

2-veratroyl-isoxazolidine

Structural Information

Molecular Formula
C12H15NO4
SMILES
COC1=C(C=C(C=C1)C(=O)N2CCCO2)OC
InChI
InChI=1S/C12H15NO4/c1-15-10-5-4-9(8-11(10)16-2)12(14)13-6-3-7-17-13/h4-5,8H,3,6-7H2,1-2H3
InChIKey
FGPUFXOHYFCMIN-UHFFFAOYSA-N
Compound name
(3,4-dimethoxyphenyl)-(1,2-oxazolidin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.10011 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 151.8
[M+Na]+ 260.08933 163.0
[M+NH4]+ 255.13393 158.8
[M+K]+ 276.06327 160.3
[M-H]- 236.09283 154.8
[M+Na-2H]- 258.07478 156.7
[M]+ 237.09956 154.0
[M]- 237.10066 154.0
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

patents stripe