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]+ 192.06552 138.7
[M+Na]+ 214.04746 146.5
[M-H]- 190.05096 144.6
[M+NH4]+ 209.09206 158.0
[M+K]+ 230.02140 146.4
[M+H-H2O]+ 174.05550 133.3
[M+HCOO]- 236.05644 161.3
[M+CH3COO]- 250.07209 182.9
[M+Na-2H]- 212.03291 146.3
[M]+ 191.05769 140.1
[M]- 191.05879 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