CID 44152188

Moxalone

Structural Information

Molecular Formula
C16H26O
SMILES
C[C@H]1CC(C2=C(C1(C)C)C[C@@]3([C@H](C2)O3)C)(C)C
InChI
InChI=1S/C16H26O/c1-10-8-14(2,3)11-7-13-16(6,17-13)9-12(11)15(10,4)5/h10,13H,7-9H2,1-6H3/t10-,13-,16+/m0/s1
InChIKey
OHHWFLWQMHUVFQ-YNZJMPHRSA-N
Compound name
(1aR,4S,7aS)-1a,3,3,4,6,6-hexamethyl-4,5,7,7a-tetrahydro-2H-naphtho[2,3-b]oxirene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

99
Patents

234.19836 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 155.5
[M+Na]+ 257.187578 166.3
[M-H]- 233.191084 162.6
[M+NH4]+ 252.232183 175.9
[M+K]+ 273.161518 166.0
[M+H-H2O]+ 217.195620 151.2
[M+HCOO]- 279.196561 169.4
[M+CH3COO]- 293.212211 199.7
[M+Na-2H]- 255.173026 162.2
[M]+ 234.19781142 159.6
[M]- 234.19890858 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe