CID 170979

Einecs 256-991-7

Structural Information

Molecular Formula
C15H24O
SMILES
CC1(CCC2C3(C14CCC(C3)(CC4)C)O2)C
InChI
InChI=1S/C15H24O/c1-12(2)5-4-11-15(16-11)10-13(3)6-8-14(12,15)9-7-13/h11H,4-10H2,1-3H3
InChIKey
KGWCEBVNLVTVQH-UHFFFAOYSA-N
Compound name
2,2,9-trimethyl-6-oxatetracyclo[7.2.2.01,7.05,7]tridecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 154.8
[M+Na]+ 243.17193 161.8
[M-H]- 219.17543 156.8
[M+NH4]+ 238.21653 178.7
[M+K]+ 259.14587 161.1
[M+H-H2O]+ 203.17997 146.6
[M+HCOO]- 265.18091 159.5
[M+CH3COO]- 279.19656 164.6
[M+Na-2H]- 241.15738 166.0
[M]+ 220.18216 157.9
[M]- 220.18326 157.9
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

No patent data available for this compound.