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

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.