CID 91809132

Einecs 280-478-7

Structural Information

Molecular Formula
C15H24O
SMILES
CC(C)C12CCC(CC13CCOC3)(C=C2)C
InChI
InChI=1S/C15H24O/c1-12(2)15-6-4-13(3,5-7-15)10-14(15)8-9-16-11-14/h4,6,12H,5,7-11H2,1-3H3
InChIKey
BUXNGGVQRWMVGB-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-ylspiro[bicyclo[2.2.2]oct-2-ene-5,3'-oxolane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 153.7
[M+Na]+ 243.171928 158.4
[M-H]- 219.175434 153.8
[M+NH4]+ 238.216533 182.4
[M+K]+ 259.145868 155.7
[M+H-H2O]+ 203.179970 147.6
[M+HCOO]- 265.180911 162.9
[M+CH3COO]- 279.196561 164.1
[M+Na-2H]- 241.157376 162.6
[M]+ 220.18216142 154.1
[M]- 220.18325858 154.1
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.