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]+ 193.085916 137.4
[M+Na]+ 215.067858 146.7
[M-H]- 191.071364 143.8
[M+NH4]+ 210.112463 157.8
[M+K]+ 231.041798 147.3
[M+H-H2O]+ 175.075900 132.2
[M+HCOO]- 237.076841 157.4
[M+CH3COO]- 251.092491 182.8
[M+Na-2H]- 213.053306 147.5
[M]+ 192.07809142 140.0
[M]- 192.07918858 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

literature stripe

Patent stripe

patents stripe