CID 15658888

2,3,4,5-tetrahydro-1,6-benzodioxocine-8-carbaldehyde

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CCOC2=C(C=CC(=C2)C=O)OC1
InChI
InChI=1S/C11H12O3/c12-8-9-3-4-10-11(7-9)14-6-2-1-5-13-10/h3-4,7-8H,1-2,5-6H2
InChIKey
CTAFCKTVMVPWDS-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydro-1,6-benzodioxocine-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

192.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 147.2
[M+Na]+ 215.06786 152.2
[M-H]- 191.07136 149.9
[M+NH4]+ 210.11246 155.3
[M+K]+ 231.04180 153.3
[M+H-H2O]+ 175.07590 143.6
[M+HCOO]- 237.07684 156.0
[M+CH3COO]- 251.09249 152.7
[M+Na-2H]- 213.05331 149.5
[M]+ 192.07809 147.4
[M]- 192.07919 147.4
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.