CID 16217514

(-)-isosativene

Structural Information

Molecular Formula
C15H24
SMILES
CC(C)[C@@H]1CC[C@]2([C@H]3[C@@H]1C[C@H](C3)C2=C)C
InChI
InChI=1S/C15H24/c1-9(2)12-5-6-15(4)10(3)11-7-13(12)14(15)8-11/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15-/m1/s1
InChIKey
CGZBLYYTRIVVTD-XLWJZTARSA-N
Compound name
(1R,3S,6S,7R,8R)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.1878 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 153.7
[M+Na]+ 227.17702 160.1
[M-H]- 203.18052 156.2
[M+NH4]+ 222.22162 181.4
[M+K]+ 243.15096 155.8
[M+H-H2O]+ 187.18506 150.0
[M+HCOO]- 249.18600 168.9
[M+CH3COO]- 263.20165 192.0
[M+Na-2H]- 225.16247 153.5
[M]+ 204.18725 151.0
[M]- 204.18835 151.0
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