CID 47452

64654-11-1

Structural Information

Molecular Formula
C11H11NO3
SMILES
C=CCNC(=O)C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C11H11NO3/c1-2-5-12-11(13)8-3-4-9-10(6-8)15-7-14-9/h2-4,6H,1,5,7H2,(H,12,13)
InChIKey
DCGRVDRVJLOBOB-UHFFFAOYSA-N
Compound name
N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

205.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 143.9
[M+Na]+ 228.06312 154.7
[M+NH4]+ 223.10772 151.6
[M+K]+ 244.03706 151.5
[M-H]- 204.06662 148.0
[M+Na-2H]- 226.04857 147.3
[M]+ 205.07335 146.3
[M]- 205.07445 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe