CID 111446

Calarene epoxide

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CCC2C3(C1(C4C(C4(C)C)CC3)C)O2
InChI
InChI=1S/C15H24O/c1-9-5-6-11-15(16-11)8-7-10-12(13(10,2)3)14(9,15)4/h9-12H,5-8H2,1-4H3
InChIKey
UYPPHUAQDGUVKN-UHFFFAOYSA-N
Compound name
6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

220.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 134.5
[M+Na]+ 243.17193 148.3
[M+NH4]+ 238.21653 148.6
[M+K]+ 259.14587 141.7
[M-H]- 219.17543 151.7
[M+Na-2H]- 241.15738 146.6
[M]+ 220.18216 144.1
[M]- 220.18326 144.1
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