CID 102579

1209-61-6

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CCC2C(O2)(CCC3C1CC3(C)C)C
InChI
InChI=1S/C15H26O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h10-13H,5-9H2,1-4H3
InChIKey
RBQQAPZKUGJMCR-UHFFFAOYSA-N
Compound name
4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

70
Patents

222.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 146.1
[M+Na]+ 245.187578 157.5
[M-H]- 221.191084 150.6
[M+NH4]+ 240.232183 151.0
[M+K]+ 261.161518 154.6
[M+H-H2O]+ 205.195620 144.2
[M+HCOO]- 267.196561 152.6
[M+CH3COO]- 281.212211 154.2
[M+Na-2H]- 243.173026 157.2
[M]+ 222.19781142 151.7
[M]- 222.19890858 151.7
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