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
4
Annotation Hits

0
References

58
Patents

222.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 146.1
[M+Na]+ 245.18758 157.5
[M-H]- 221.19108 150.6
[M+NH4]+ 240.23218 151.0
[M+K]+ 261.16152 154.6
[M+H-H2O]+ 205.19562 144.2
[M+HCOO]- 267.19656 152.6
[M+CH3COO]- 281.21221 154.2
[M+Na-2H]- 243.17303 157.2
[M]+ 222.19781 151.7
[M]- 222.19891 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