CID 25244198

Beta-ylangene

Structural Information

Molecular Formula
C15H24
SMILES
CC(C)C1CC[C@]2([C@H]3[C@@H]1C2C(=C)CC3)C
InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11?,12-,13-,14?,15+/m1/s1
InChIKey
UPVZPMJSRSWJHQ-KYRRZXGASA-N
Compound name
(1S,6R,7R)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

142
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 158.6
[M+Na]+ 227.177018 162.3
[M-H]- 203.180524 159.3
[M+NH4]+ 222.221623 177.7
[M+K]+ 243.150958 161.6
[M+H-H2O]+ 187.185060 149.1
[M+HCOO]- 249.186001 167.6
[M+CH3COO]- 263.201651 199.6
[M+Na-2H]- 225.162466 163.0
[M]+ 204.18725142 165.9
[M]- 204.18834858 165.9
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.