CID 14083644

Ns00123358

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1=CC2C(CC1)(C3(CCC(C34CO4)O2)C)C
InChI
InChI=1S/C15H22O2/c1-10-4-6-13(2)12(8-10)17-11-5-7-14(13,3)15(11)9-16-15/h8,11-12H,4-7,9H2,1-3H3
InChIKey
LZAJKCZTKKKZNT-UHFFFAOYSA-N
Compound name
1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

0
Patents

234.16199 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 155.4
[M+Na]+ 257.15121 168.6
[M+NH4]+ 252.19581 170.6
[M+K]+ 273.12515 159.9
[M-H]- 233.15471 168.6
[M+Na-2H]- 255.13666 163.9
[M]+ 234.16144 163.0
[M]- 234.16254 163.0
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

No patent data available for this compound.