CID 11745236

2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene

Structural Information

Molecular Formula
C11H16O2
SMILES
CC1(C=CC2(O1)C=CC(O2)(C)C)C
InChI
InChI=1S/C11H16O2/c1-9(2)5-7-11(12-9)8-6-10(3,4)13-11/h5-8H,1-4H3
InChIKey
XBYJEPZKXGPIKK-UHFFFAOYSA-N
Compound name
2,2,7,7-tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 132.9
[M+Na]+ 203.10426 143.3
[M-H]- 179.10776 141.0
[M+NH4]+ 198.14886 160.4
[M+K]+ 219.07820 144.0
[M+H-H2O]+ 163.11230 130.8
[M+HCOO]- 225.11324 155.5
[M+CH3COO]- 239.12889 179.0
[M+Na-2H]- 201.08971 141.5
[M]+ 180.11449 136.1
[M]- 180.11559 136.1
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