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]+ 206.081176 143.5
[M+Na]+ 228.063118 150.8
[M-H]- 204.066624 149.2
[M+NH4]+ 223.107723 162.3
[M+K]+ 244.037058 150.5
[M+H-H2O]+ 188.071160 137.9
[M+HCOO]- 250.072101 165.8
[M+CH3COO]- 264.087751 185.9
[M+Na-2H]- 226.048566 150.5
[M]+ 205.07335142 145.3
[M]- 205.07444858 145.3
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