CID 16220111

Acetyl cedrene

Structural Information

Molecular Formula
C17H26O
SMILES
C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)C(=C(C3)C(=O)C)C
InChI
InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1
InChIKey
YBUIAJZFOGJGLJ-SWRJLBSHSA-N
Compound name
1-[(1R,2R,5S,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

2842
Patents

246.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.205636 160.6
[M+Na]+ 269.187578 168.8
[M-H]- 245.191084 165.2
[M+NH4]+ 264.232183 188.4
[M+K]+ 285.161518 164.5
[M+H-H2O]+ 229.195620 157.2
[M+HCOO]- 291.196561 177.1
[M+CH3COO]- 305.212211 199.1
[M+Na-2H]- 267.173026 160.4
[M]+ 246.19781142 160.5
[M]- 246.19890858 160.5
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.