CID 11586486

(+)-trans-4(11),8-aucadiene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CC[C@]2(CCC(=C(C)C)[C@@H]2CC1)C
InChI
InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,14H,5-6,8-10H2,1-4H3/t14-,15-/m0/s1
InChIKey
PRQLWQYYMJZORK-GJZGRUSLSA-N
Compound name
(3aR,8aR)-6,8a-dimethyl-3-propan-2-ylidene-1,2,3a,4,5,8-hexahydroazulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.1878 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 147.1
[M+Na]+ 227.17702 151.6
[M-H]- 203.18052 152.2
[M+NH4]+ 222.22162 169.7
[M+K]+ 243.15096 150.8
[M+H-H2O]+ 187.18506 143.2
[M+HCOO]- 249.18600 164.5
[M+CH3COO]- 263.20165 190.5
[M+Na-2H]- 225.16247 148.2
[M]+ 204.18725 140.8
[M]- 204.18835 140.8
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