CID 545265

8-oxatetracyclo[5.2.1.1(2,6).1(4,10)]dodecane, 7-tert-butyl-1,9,9-trimethyl-

Structural Information

Molecular Formula
C18H30O
SMILES
CC1(C2(C3CC4CC(C3)C(C2C4)(O1)C(C)(C)C)C)C
InChI
InChI=1S/C18H30O/c1-15(2,3)18-13-8-11-7-12(10-13)17(6,14(18)9-11)16(4,5)19-18/h11-14H,7-10H2,1-6H3
InChIKey
CYMWZZACFUOBTC-UHFFFAOYSA-N
Compound name
2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.22968 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.236956 166.8
[M+Na]+ 285.218898 171.5
[M-H]- 261.222404 165.2
[M+NH4]+ 280.263503 195.4
[M+K]+ 301.192838 167.7
[M+H-H2O]+ 245.226940 160.3
[M+HCOO]- 307.227881 170.0
[M+CH3COO]- 321.243531 175.8
[M+Na-2H]- 283.204346 174.8
[M]+ 262.22913142 169.2
[M]- 262.23022858 169.2
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.