CID 106800

Cedrane-9-acetate

Structural Information

Molecular Formula
C17H28O2
SMILES
CC1CCC2C13CC(C2(C)C)C(C(C3)OC(=O)C)C
InChI
InChI=1S/C17H28O2/c1-10-6-7-15-16(4,5)13-8-17(10,15)9-14(11(13)2)19-12(3)18/h10-11,13-15H,6-9H2,1-5H3
InChIKey
DITDUMQEBPPYLV-UHFFFAOYSA-N
Compound name
(2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undecanyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 164.3
[M+Na]+ 287.19814 172.2
[M+NH4]+ 282.24274 176.3
[M+K]+ 303.17208 166.1
[M-H]- 263.20164 165.1
[M+Na-2H]- 285.18359 166.0
[M]+ 264.20837 165.8
[M]- 264.20947 165.8
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.