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

3297
Patents

246.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 160.6
[M+Na]+ 269.18758 168.8
[M-H]- 245.19108 165.2
[M+NH4]+ 264.23218 188.4
[M+K]+ 285.16152 164.5
[M+H-H2O]+ 229.19562 157.2
[M+HCOO]- 291.19656 177.1
[M+CH3COO]- 305.21221 199.1
[M+Na-2H]- 267.17303 160.4
[M]+ 246.19781 160.5
[M]- 246.19891 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

literature stripe

Patent stripe

patents stripe