CID 521496

1-epi-bicyclosesquiphellandrene

Structural Information

Molecular Formula
C15H24
SMILES
CC1CCC(C2=CC(=C)CCC12)C(C)C
InChI
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3
InChIKey
RNDFUOKDULDZPR-UHFFFAOYSA-N
Compound name
4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

73
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 149.2
[M+Na]+ 227.177018 154.2
[M-H]- 203.180524 152.7
[M+NH4]+ 222.221623 169.7
[M+K]+ 243.150958 150.8
[M+H-H2O]+ 187.185060 143.6
[M+HCOO]- 249.186001 164.9
[M+CH3COO]- 263.201651 191.8
[M+Na-2H]- 225.162466 150.1
[M]+ 204.18725142 143.9
[M]- 204.18834858 143.9
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