CID 119674

27606-09-3

Structural Information

Molecular Formula
C13H16O2
SMILES
CC1C2CC3=CC=CC=C3C2OC(O1)C
InChI
InChI=1S/C13H16O2/c1-8-12-7-10-5-3-4-6-11(10)13(12)15-9(2)14-8/h3-6,8-9,12-13H,7H2,1-2H3
InChIKey
SHWFPOIJJLMZKA-UHFFFAOYSA-N
Compound name
2,4-dimethyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1753
Patents

204.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 143.2
[M+Na]+ 227.10426 151.6
[M-H]- 203.10776 149.8
[M+NH4]+ 222.14886 164.0
[M+K]+ 243.07820 150.7
[M+H-H2O]+ 187.11230 138.3
[M+HCOO]- 249.11324 161.1
[M+CH3COO]- 263.12889 156.9
[M+Na-2H]- 225.08971 149.3
[M]+ 204.11449 143.7
[M]- 204.11559 143.7
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