CID 11275742

(+)-sativene

Structural Information

Molecular Formula
C15H24
SMILES
CC(C)[C@@H]1CC[C@]2([C@H]3[C@@H]1[C@@H](C2=C)CC3)C
InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)10(3)12-5-6-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15+/m0/s1
InChIKey
VOBBUADSYROGAT-VYDRJRHOSA-N
Compound name
(1R,2S,3S,6S,8S)-6-methyl-7-methylidene-3-propan-2-yltricyclo[4.4.0.02,8]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

86
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 152.8
[M+Na]+ 227.17702 159.2
[M-H]- 203.18052 156.4
[M+NH4]+ 222.22162 180.1
[M+K]+ 243.15096 155.0
[M+H-H2O]+ 187.18506 148.8
[M+HCOO]- 249.18600 168.8
[M+CH3COO]- 263.20165 191.8
[M+Na-2H]- 225.16247 152.0
[M]+ 204.18725 149.5
[M]- 204.18835 149.5
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