CID 42608192

(-)-1-silphinene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@H]1CC[C@@]23C1=CC[C@@]2(CC(C3)(C)C)C
InChI
InChI=1S/C15H24/c1-11-5-8-15-10-13(2,3)9-14(15,4)7-6-12(11)15/h6,11H,5,7-10H2,1-4H3/t11-,14+,15+/m0/s1
InChIKey
DXSGAWXTSXAMJN-NILFDRSVSA-N
Compound name
(1S,4S,8R)-4,8,10,10-tetramethyltricyclo[6.3.0.01,5]undec-5-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.6
[M+Na]+ 227.17702 159.6
[M-H]- 203.18052 157.1
[M+NH4]+ 222.22162 182.6
[M+K]+ 243.15096 155.4
[M+H-H2O]+ 187.18506 147.4
[M+HCOO]- 249.18600 171.0
[M+CH3COO]- 263.20165 164.5
[M+Na-2H]- 225.16247 152.4
[M]+ 204.18725 149.8
[M]- 204.18835 149.8
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.