CID 116740

71078-31-4

Structural Information

Molecular Formula
C13H20O
SMILES
CC1CC=C(C2(C1C)C=CC(O2)C)C
InChI
InChI=1S/C13H20O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14-13/h6-9,11-12H,5H2,1-4H3
InChIKey
WYTVJTNOJJKEEQ-UHFFFAOYSA-N
Compound name
2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

317
Patents

192.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 142.2
[M+Na]+ 215.14063 150.8
[M-H]- 191.14413 149.1
[M+NH4]+ 210.18523 165.5
[M+K]+ 231.11457 149.4
[M+H-H2O]+ 175.14867 137.7
[M+HCOO]- 237.14961 162.8
[M+CH3COO]- 251.16526 185.2
[M+Na-2H]- 213.12608 146.2
[M]+ 192.15086 141.7
[M]- 192.15196 141.7
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

patents stripe