CID 168265187

7-hydroxymuskatone

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1=CC(=O)C[C@@]2(CC[C@]([C@@H]2C1)(C(C)C)O)C
InChI
InChI=1S/C15H24O2/c1-10(2)15(17)6-5-14(4)9-12(16)7-11(3)8-13(14)15/h7,10,13,17H,5-6,8-9H2,1-4H3/t13-,14+,15-/m1/s1
InChIKey
WMRKYGAEMMPKDH-QLFBSQMISA-N
Compound name
(1R,3aS,8aR)-1-hydroxy-3a,7-dimethyl-1-propan-2-yl-3,4,8,8a-tetrahydro-2H-azulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 151.9
[M+Na]+ 259.16685 157.6
[M-H]- 235.17035 156.2
[M+NH4]+ 254.21145 174.7
[M+K]+ 275.14079 157.1
[M+H-H2O]+ 219.17489 148.8
[M+HCOO]- 281.17583 168.2
[M+CH3COO]- 295.19148 193.2
[M+Na-2H]- 257.15230 153.5
[M]+ 236.17708 147.4
[M]- 236.17818 147.4
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

No patent data available for this compound.