CID 61953

Theaspirane

Structural Information

Molecular Formula
C13H22O
SMILES
CC1CCC2(O1)C(=CCCC2(C)C)C
InChI
InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3
InChIKey
GYUZHTWCNKINPY-UHFFFAOYSA-N
Compound name
2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

674
Patents

194.16707 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 144.7
[M+Na]+ 217.15629 156.0
[M+NH4]+ 212.20089 157.3
[M+K]+ 233.13023 147.5
[M-H]- 193.15979 149.5
[M+Na-2H]- 215.14174 152.2
[M]+ 194.16652 148.0
[M]- 194.16762 148.0
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