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]+ 265.25261 167.0
[M+Na]+ 287.23455 174.0
[M-H]- 263.23805 170.9
[M+NH4]+ 282.27915 195.8
[M+K]+ 303.20849 169.6
[M+H-H2O]+ 247.24259 163.1
[M+HCOO]- 309.24353 182.5
[M+CH3COO]- 323.25918 201.1
[M+Na-2H]- 285.22000 168.2
[M]+ 264.24478 167.1
[M]- 264.24588 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