CID 131752013

Articulone

Structural Information

Molecular Formula
C16H24
SMILES
C[C@@H]1CC[C@@H]2CC3=C(C(=C)C[C@]13C2(C)C)C
InChI
InChI=1S/C16H24/c1-10-9-16-11(2)6-7-13(15(16,4)5)8-14(16)12(10)3/h11,13H,1,6-9H2,2-5H3/t11-,13-,16+/m1/s1
InChIKey
CASPQMNSCBDWDR-KFNAQCHYSA-N
Compound name
(1R,7R,10R)-4,10,11,11-tetramethyl-3-methylidenetricyclo[5.3.1.01,5]undec-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1878 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.19508 152.1
[M+Na]+ 239.17702 162.5
[M+NH4]+ 234.22162 165.6
[M+K]+ 255.15096 154.5
[M-H]- 215.18052 154.4
[M+Na-2H]- 237.16247 156.1
[M]+ 216.18725 154.5
[M]- 216.18835 154.5
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

No patent data available for this compound.