CID 85878

15591-90-9

Structural Information

Molecular Formula
C12H18O2
SMILES
C1CC2C(C1)C3CC2CC34OCCO4
InChI
InChI=1S/C12H18O2/c1-2-9-8-6-11(10(9)3-1)12(7-8)13-4-5-14-12/h8-11H,1-7H2
InChIKey
HIDQGLHUSVXEQZ-UHFFFAOYSA-N
Compound name
spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 142.9
[M+Na]+ 217.11990 149.9
[M+NH4]+ 212.16450 155.0
[M+K]+ 233.09384 150.4
[M-H]- 193.12340 146.8
[M+Na-2H]- 215.10535 142.9
[M]+ 194.13013 145.0
[M]- 194.13123 145.0
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.