CID 144816965

8-hydroxy-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

Structural Information

Molecular Formula
C9H8O4
SMILES
C1COC2=C(C=C(C=C2O1)C=O)O
InChI
InChI=1S/C9H8O4/c10-5-6-3-7(11)9-8(4-6)12-1-2-13-9/h3-5,11H,1-2H2
InChIKey
KBWPXCVSVJBKOY-UHFFFAOYSA-N
Compound name
5-hydroxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.04225 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04953 132.2
[M+Na]+ 203.03147 140.8
[M-H]- 179.03497 137.1
[M+NH4]+ 198.07607 150.2
[M+K]+ 219.00541 141.2
[M+H-H2O]+ 163.03951 126.8
[M+HCOO]- 225.04045 151.6
[M+CH3COO]- 239.05610 176.8
[M+Na-2H]- 201.01692 141.8
[M]+ 180.04170 133.5
[M]- 180.04280 133.5
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

No patent data available for this compound.