CID 11009055

Pentalenene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC(C[C@H]3C=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-GUIRCDHDSA-N
Compound name
(1R,2R,5S,8S)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

48
Patents

204.1878 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 151.3
[M+Na]+ 227.17702 160.1
[M-H]- 203.18052 157.8
[M+NH4]+ 222.22162 181.8
[M+K]+ 243.15096 156.1
[M+H-H2O]+ 187.18506 148.1
[M+HCOO]- 249.18600 171.7
[M+CH3COO]- 263.20165 165.1
[M+Na-2H]- 225.16247 151.4
[M]+ 204.18725 150.4
[M]- 204.18835 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

literature stripe

Patent stripe

patents stripe