CID 595133

.beta.-panasinsene

Structural Information

Molecular Formula
C15H24
SMILES
CC1(CC23C1CCC2(CCCC3=C)C)C
InChI
InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h12H,1,5-10H2,2-4H3
InChIKey
LTMKWDWWHXRNMO-UHFFFAOYSA-N
Compound name
2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

69
Patents

204.1878 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.0
[M+Na]+ 227.17702 155.6
[M+NH4]+ 222.22162 160.4
[M+K]+ 243.15096 146.5
[M-H]- 203.18052 150.2
[M+Na-2H]- 225.16247 154.3
[M]+ 204.18725 150.2
[M]- 204.18835 150.2
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