CID 4123749

303129-59-1

Structural Information

Molecular Formula
C10H9NO3
SMILES
C=CC(=O)NC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C10H9NO3/c1-2-10(12)11-7-3-4-8-9(5-7)14-6-13-8/h2-5H,1,6H2,(H,11,12)
InChIKey
WYNHSJXWXQHJNZ-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

191.05824 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 138.7
[M+Na]+ 214.047458 146.5
[M-H]- 190.050964 144.6
[M+NH4]+ 209.092063 158.0
[M+K]+ 230.021398 146.4
[M+H-H2O]+ 174.055500 133.3
[M+HCOO]- 236.056441 161.3
[M+CH3COO]- 250.072091 182.9
[M+Na-2H]- 212.032906 146.3
[M]+ 191.05769142 140.1
[M]- 191.05878858 140.1
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

patents stripe