CID 13154078

(+)-mayurone

Structural Information

Molecular Formula
C14H22O
SMILES
C[C@@]12CCCC([C@@]13C[C@H]3C(=O)CC2)(C)C
InChI
InChI=1S/C14H22O/c1-12(2)6-4-7-13(3)8-5-11(15)10-9-14(10,12)13/h10H,4-9H2,1-3H3/t10-,13-,14-/m0/s1
InChIKey
OZVBAFBRWKCCHV-BPNCWPANSA-N
Compound name
(1aR,4aS,8aS)-4a,8,8-trimethyl-1a,3,4,5,6,7-hexahydro-1H-cyclopropa[j]naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 151.5
[M+Na]+ 229.15629 160.2
[M-H]- 205.15979 158.0
[M+NH4]+ 224.20089 173.0
[M+K]+ 245.13023 159.0
[M+H-H2O]+ 189.16433 147.1
[M+HCOO]- 251.16527 166.3
[M+CH3COO]- 265.18092 191.3
[M+Na-2H]- 227.14174 157.8
[M]+ 206.16652 151.4
[M]- 206.16762 151.4
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