CID 10536208

Asterisc-3(15)-6-diene

Structural Information

Molecular Formula
C15H24
SMILES
C/C/1=C/CCC(=C)[C@H]2CC(C[C@H]2C1)(C)C
InChI
InChI=1S/C15H24/c1-11-6-5-7-12(2)14-10-15(3,4)9-13(14)8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1
InChIKey
JRCVPJOABWZGQV-FLFDDASRSA-N
Compound name
(3aS,5Z,9aS)-2,2,5-trimethyl-9-methylidene-3,3a,4,7,8,9a-hexahydro-1H-cyclopenta[8]annulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 166.7
[M+Na]+ 227.17702 171.6
[M-H]- 203.18052 168.7
[M+NH4]+ 222.22162 177.5
[M+K]+ 243.15096 170.7
[M+H-H2O]+ 187.18506 163.3
[M+HCOO]- 249.18600 174.6
[M+CH3COO]- 263.20165 225.0
[M+Na-2H]- 225.16247 164.1
[M]+ 204.18725 164.8
[M]- 204.18835 164.8
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.