CID 113493

Decahydro-1-methoxy-4,8a,9,9-tetramethyl-1,6-methanonaphthalene

Structural Information

Molecular Formula
C16H28O
SMILES
CC1CCC2(C(C3CCC2(C1C3)C)(C)C)OC
InChI
InChI=1S/C16H28O/c1-11-6-9-16(17-5)14(2,3)12-7-8-15(16,4)13(11)10-12/h11-13H,6-10H2,1-5H3
InChIKey
CHNNZHWOFUDAHP-UHFFFAOYSA-N
Compound name
3-methoxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.21402 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.221296 158.3
[M+Na]+ 259.203238 163.6
[M-H]- 235.206744 157.2
[M+NH4]+ 254.247843 186.7
[M+K]+ 275.177178 159.9
[M+H-H2O]+ 219.211280 151.6
[M+HCOO]- 281.212221 165.9
[M+CH3COO]- 295.227871 168.1
[M+Na-2H]- 257.188686 166.6
[M]+ 236.21347142 158.8
[M]- 236.21456858 158.8
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.