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

112
Patents

234.19836 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 155.5
[M+Na]+ 257.18758 166.3
[M-H]- 233.19108 162.6
[M+NH4]+ 252.23218 175.9
[M+K]+ 273.16152 166.0
[M+H-H2O]+ 217.19562 151.2
[M+HCOO]- 279.19656 169.4
[M+CH3COO]- 293.21221 199.7
[M+Na-2H]- 255.17303 162.2
[M]+ 234.19781 159.6
[M]- 234.19891 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