CID 22219099

79893-63-3

Structural Information

Molecular Formula
C14H22O
SMILES
CCC1=CCCC(C12C=CC(O2)C)(C)C
InChI
InChI=1S/C14H22O/c1-5-12-7-6-9-13(3,4)14(12)10-8-11(2)15-14/h7-8,10-11H,5-6,9H2,1-4H3
InChIKey
NHJSLVJXXDHDRV-UHFFFAOYSA-N
Compound name
10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

374
Patents

206.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 145.9
[M+Na]+ 229.15629 154.1
[M-H]- 205.15979 152.6
[M+NH4]+ 224.20089 170.3
[M+K]+ 245.13023 152.6
[M+H-H2O]+ 189.16433 141.5
[M+HCOO]- 251.16527 166.1
[M+CH3COO]- 265.18092 186.9
[M+Na-2H]- 227.14174 151.1
[M]+ 206.16652 145.7
[M]- 206.16762 145.7
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