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 152.3
[M+Na]+ 239.17702 161.4
[M-H]- 215.18052 157.1
[M+NH4]+ 234.22162 181.5
[M+K]+ 255.15096 156.3
[M+H-H2O]+ 199.18506 148.8
[M+HCOO]- 261.18600 170.0
[M+CH3COO]- 275.20165 165.5
[M+Na-2H]- 237.16247 153.6
[M]+ 216.18725 151.0
[M]- 216.18835 151.0
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.