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 150.9
[M+Na]+ 260.08933 158.0
[M-H]- 236.09283 157.0
[M+NH4]+ 255.13393 167.6
[M+K]+ 276.06327 158.1
[M+H-H2O]+ 220.09737 143.7
[M+HCOO]- 282.09831 171.7
[M+CH3COO]- 296.11396 189.1
[M+Na-2H]- 258.07478 153.9
[M]+ 237.09956 153.5
[M]- 237.10066 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