CID 6431015

Alpha-cedrene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)C
InChI
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1
InChIKey
IRAQOCYXUMOFCW-OSFYFWSMSA-N
Compound name
(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

52
References

2090
Patents

204.1878 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.4
[M+Na]+ 227.17702 158.7
[M-H]- 203.18052 155.1
[M+NH4]+ 222.22162 179.9
[M+K]+ 243.15096 154.5
[M+H-H2O]+ 187.18506 146.5
[M+HCOO]- 249.18600 168.3
[M+CH3COO]- 263.20165 163.6
[M+Na-2H]- 225.16247 152.7
[M]+ 204.18725 149.1
[M]- 204.18835 149.1
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