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 146.1
[M+Na]+ 217.11990 152.8
[M-H]- 193.12340 153.0
[M+NH4]+ 212.16450 174.1
[M+K]+ 233.09384 152.2
[M+H-H2O]+ 177.12794 144.6
[M+HCOO]- 239.12888 163.2
[M+CH3COO]- 253.14453 159.3
[M+Na-2H]- 215.10535 147.2
[M]+ 194.13013 144.1
[M]- 194.13123 144.1
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

No patent data available for this compound.