CID 177773

Daucene

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/h7,11H,5-6,8-10H2,1-4H3
InChIKey
MGMBZNCFUFRSSP-UHFFFAOYSA-N
Compound name
6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

49
Patents

204.1878 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 144.8
[M+Na]+ 227.17702 154.2
[M+NH4]+ 222.22162 155.2
[M+K]+ 243.15096 148.7
[M-H]- 203.18052 147.4
[M+Na-2H]- 225.16247 150.6
[M]+ 204.18725 147.1
[M]- 204.18835 147.1
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