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]+ 193.085916 147.2
[M+Na]+ 215.067858 152.2
[M-H]- 191.071364 149.9
[M+NH4]+ 210.112463 155.3
[M+K]+ 231.041798 153.3
[M+H-H2O]+ 175.075900 143.6
[M+HCOO]- 237.076841 156.0
[M+CH3COO]- 251.092491 152.7
[M+Na-2H]- 213.053306 149.5
[M]+ 192.07809142 147.4
[M]- 192.07918858 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

literature stripe

Patent stripe

patents stripe