CID 88289

8-propoxycedrane

Structural Information

Molecular Formula
C18H32O
SMILES
CCCO[C@]1(CC[C@@]23C[C@@H]1C([C@@H]2CC[C@H]3C)(C)C)C
InChI
InChI=1S/C18H32O/c1-6-11-19-17(5)9-10-18-12-15(17)16(3,4)14(18)8-7-13(18)2/h13-15H,6-12H2,1-5H3/t13-,14+,15-,17+,18+/m1/s1
InChIKey
TUDJGTBGFVLELQ-DZXRDFMUSA-N
Compound name
(1S,2R,5S,7R,8S)-2,6,6,8-tetramethyl-8-propoxytricyclo[5.3.1.01,5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.24533 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.252606 167.0
[M+Na]+ 287.234548 174.0
[M-H]- 263.238054 170.9
[M+NH4]+ 282.279153 195.8
[M+K]+ 303.208488 169.6
[M+H-H2O]+ 247.242590 163.1
[M+HCOO]- 309.243531 182.5
[M+CH3COO]- 323.259181 201.1
[M+Na-2H]- 285.219996 168.2
[M]+ 264.24478142 167.1
[M]- 264.24587858 167.1
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