CID 543319

6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1(COC2(C=C2)OC1)C
InChI
InChI=1S/C8H12O2/c1-7(2)5-9-8(3-4-8)10-6-7/h3-4H,5-6H2,1-2H3
InChIKey
AINMINDCBBSFAO-UHFFFAOYSA-N
Compound name
6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

140.08372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 128.8
[M+Na]+ 163.07294 138.8
[M-H]- 139.07644 137.4
[M+NH4]+ 158.11754 147.3
[M+K]+ 179.04688 141.9
[M+H-H2O]+ 123.08098 124.2
[M+HCOO]- 185.08192 148.7
[M+CH3COO]- 199.09757 175.1
[M+Na-2H]- 161.05839 140.3
[M]+ 140.08317 132.5
[M]- 140.08427 132.5
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.