CID 20303626

261913-24-0

Structural Information

Molecular Formula
C11H10O3
SMILES
C1COC2=C(O1)C=CC(=C2)/C=C/C=O
InChI
InChI=1S/C11H10O3/c12-5-1-2-9-3-4-10-11(8-9)14-7-6-13-10/h1-5,8H,6-7H2/b2-1+
InChIKey
QLMGOPJBUUNBHB-OWOJBTEDSA-N
Compound name
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

190.06299 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 137.2
[M+Na]+ 213.052208 144.9
[M-H]- 189.055714 142.7
[M+NH4]+ 208.096813 155.2
[M+K]+ 229.026148 144.5
[M+H-H2O]+ 173.060250 131.2
[M+HCOO]- 235.061191 157.4
[M+CH3COO]- 249.076841 180.6
[M+Na-2H]- 211.037656 146.8
[M]+ 190.06244142 138.2
[M]- 190.06353858 138.2
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