CID 73809332

Isodaucene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CCC2(CCC(C2CC1)C(=C)C)C
InChI
InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,13-14H,1,5-6,8-10H2,2-4H3
InChIKey
RLNLRKHTQIXWHM-UHFFFAOYSA-N
Compound name
6,8a-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,8-hexahydro-1H-azulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

204.1878 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 146.9
[M+Na]+ 227.177018 151.4
[M-H]- 203.180524 152.0
[M+NH4]+ 222.221623 169.5
[M+K]+ 243.150958 150.6
[M+H-H2O]+ 187.185060 143.0
[M+HCOO]- 249.186001 164.3
[M+CH3COO]- 263.201651 191.1
[M+Na-2H]- 225.162466 148.0
[M]+ 204.18725142 140.7
[M]- 204.18834858 140.7
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