CID 14167644

Sibirene

Structural Information

Molecular Formula
C15H24
SMILES
CC(C)C1=CC2C(=C)CCCC2(CC1)C
InChI
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11,14H,3,5-9H2,1-2,4H3
InChIKey
ALUIZDJKPCNAGJ-UHFFFAOYSA-N
Compound name
8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,7,8-hexahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

204.1878 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 149.5
[M+Na]+ 227.17702 154.5
[M-H]- 203.18052 153.0
[M+NH4]+ 222.22162 171.8
[M+K]+ 243.15096 151.3
[M+H-H2O]+ 187.18506 144.2
[M+HCOO]- 249.18600 165.3
[M+CH3COO]- 263.20165 190.1
[M+Na-2H]- 225.16247 152.1
[M]+ 204.18725 144.1
[M]- 204.18835 144.1
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