CID 129320402

(3s)-(+)-asterisca-2(9),6-diene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@H]1CC/C=C(\CC2=C1CC(C2)(C)C)/C
InChI
InChI=1S/C15H24/c1-11-6-5-7-12(2)14-10-15(3,4)9-13(14)8-11/h6,12H,5,7-10H2,1-4H3/b11-6-/t12-/m0/s1
InChIKey
CXGSNSSJAGLQTG-DSDFTUOUSA-N
Compound name
(5Z,9S)-2,2,5,9-tetramethyl-1,3,4,7,8,9-hexahydrocyclopenta[8]annulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

204.1878 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 166.0
[M+Na]+ 227.17702 171.2
[M-H]- 203.18052 168.2
[M+NH4]+ 222.22162 176.9
[M+K]+ 243.15096 170.5
[M+H-H2O]+ 187.18506 162.6
[M+HCOO]- 249.18600 174.4
[M+CH3COO]- 263.20165 225.3
[M+Na-2H]- 225.16247 163.9
[M]+ 204.18725 165.0
[M]- 204.18835 165.0
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.