CID 28808405

1018605-08-7

Structural Information

Molecular Formula
C12H12N2O3
SMILES
C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)CN
InChI
InChI=1S/C12H12N2O3/c13-7-9-6-11(17-14-9)8-1-2-10-12(5-8)16-4-3-15-10/h1-2,5-6H,3-4,7,13H2
InChIKey
UORCYZBBWDHUJM-UHFFFAOYSA-N
Compound name
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 150.0
[M+Na]+ 255.07402 163.2
[M+NH4]+ 250.11862 158.3
[M+K]+ 271.04796 159.9
[M-H]- 231.07752 157.8
[M+Na-2H]- 253.05947 155.2
[M]+ 232.08425 154.1
[M]- 232.08535 154.1
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.