CID 12772489

Pentalenene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CCC2C13CC(CC3C=C2C)(C)C
InChI
InChI=1S/C15H24/c1-10-7-12-8-14(3,4)9-15(12)11(2)5-6-13(10)15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12?,13?,15?/m1/s1
InChIKey
YGIVIHRLDOVJLL-PEGDAGBESA-N
Compound name
(2R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

58
Patents

204.1878 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 151.3
[M+Na]+ 227.177018 160.1
[M-H]- 203.180524 157.8
[M+NH4]+ 222.221623 181.8
[M+K]+ 243.150958 156.1
[M+H-H2O]+ 187.185060 148.1
[M+HCOO]- 249.186001 171.7
[M+CH3COO]- 263.201651 165.1
[M+Na-2H]- 225.162466 151.4
[M]+ 204.18725142 150.4
[M]- 204.18834858 150.4
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.