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]+ 141.090996 128.8
[M+Na]+ 163.072938 138.8
[M-H]- 139.076444 137.4
[M+NH4]+ 158.117543 147.3
[M+K]+ 179.046878 141.9
[M+H-H2O]+ 123.080980 124.2
[M+HCOO]- 185.081921 148.7
[M+CH3COO]- 199.097571 175.1
[M+Na-2H]- 161.058386 140.3
[M]+ 140.08317142 132.5
[M]- 140.08426858 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

literature stripe

Patent stripe

patents stripe