CID 73797127

Panaginsene

Structural Information

Molecular Formula
C15H24
SMILES
CC1CCC2C13CCC(=C3CC2(C)C)C
InChI
InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-13(15)14(3,4)9-12(10)15/h11,13H,5-9H2,1-4H3
InChIKey
ZRXJARPSARBQCO-UHFFFAOYSA-N
Compound name
4,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

204.1878 Da
Monoisotopic Mass

4.3
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

literature stripe

Patent stripe

patents stripe