CID 575459

Indano[2,1-d]1,3-dioxane,

Structural Information

Molecular Formula
C11H12O2
SMILES
C1C2C(COCO2)C3=CC=CC=C31
InChI
InChI=1S/C11H12O2/c1-2-4-9-8(3-1)5-11-10(9)6-12-7-13-11/h1-4,10-11H,5-7H2
InChIKey
PAWMBLGFZJZYDI-UHFFFAOYSA-N
Compound name
4,4a,9,9a-tetrahydroindeno[2,1-d][1,3]dioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

176.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 133.0
[M+Na]+ 199.072938 140.5
[M-H]- 175.076444 139.3
[M+NH4]+ 194.117543 154.4
[M+K]+ 215.046878 140.1
[M+H-H2O]+ 159.080980 128.0
[M+HCOO]- 221.081921 151.7
[M+CH3COO]- 235.097571 146.9
[M+Na-2H]- 197.058386 141.6
[M]+ 176.08317142 132.1
[M]- 176.08426858 132.1
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

patents stripe