CID 146672860

Dauca-4,7-diene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CC[C@@H]2C(=C(C)C)CC[C@]2(CC1)C
InChI
InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h5,14H,6-10H2,1-4H3/t14-,15-/m1/s1
InChIKey
BHSLMCXELUOVBY-HUUCEWRRSA-N
Compound name
(3aS,8aR)-6,8a-dimethyl-3-propan-2-ylidene-1,2,3a,4,7,8-hexahydroazulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No patent data available for this compound.