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

3
Patents

237.10011 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 150.9
[M+Na]+ 260.089328 158.0
[M-H]- 236.092834 157.0
[M+NH4]+ 255.133933 167.6
[M+K]+ 276.063268 158.1
[M+H-H2O]+ 220.097370 143.7
[M+HCOO]- 282.098311 171.7
[M+CH3COO]- 296.113961 189.1
[M+Na-2H]- 258.074776 153.9
[M]+ 237.09956142 153.5
[M]- 237.10065858 153.5
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