CID 11446839

54030-33-0

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1(OCC2=C(O1)C=CC(=C2)C=O)C
InChI
InChI=1S/C11H12O3/c1-11(2)13-7-9-5-8(6-12)3-4-10(9)14-11/h3-6H,7H2,1-2H3
InChIKey
KNGWEAQJZJKFLI-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4H-1,3-benzodioxine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6650
Patents

192.07864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 137.4
[M+Na]+ 215.06786 146.7
[M-H]- 191.07136 143.8
[M+NH4]+ 210.11246 157.8
[M+K]+ 231.04180 147.3
[M+H-H2O]+ 175.07590 132.2
[M+HCOO]- 237.07684 157.4
[M+CH3COO]- 251.09249 182.8
[M+Na-2H]- 213.05331 147.5
[M]+ 192.07809 140.0
[M]- 192.07919 140.0
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.