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

1
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 154.8
[M+Na]+ 243.171928 161.8
[M-H]- 219.175434 156.8
[M+NH4]+ 238.216533 178.7
[M+K]+ 259.145868 161.1
[M+H-H2O]+ 203.179970 146.6
[M+HCOO]- 265.180911 159.5
[M+CH3COO]- 279.196561 164.6
[M+Na-2H]- 241.157376 166.0
[M]+ 220.18216142 157.9
[M]- 220.18325858 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

patents stripe