CID 4105903

8a-methyl-2,3,4,4a,4b,5,8,8a-octahydro-2-phenanthrenone

Structural Information

Molecular Formula
C15H18O
SMILES
CC12CC=CCC1C3CCC(=O)C=C3C=C2
InChI
InChI=1S/C15H18O/c1-15-8-3-2-4-14(15)13-6-5-12(16)10-11(13)7-9-15/h2-3,7,9-10,13-14H,4-6,8H2,1H3
InChIKey
FXOUFKCTHRODGA-UHFFFAOYSA-N
Compound name
8a-methyl-3,4,4a,4b,5,8-hexahydrophenanthren-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.14305 148.1
[M+Na]+ 237.12499 154.7
[M-H]- 213.12849 152.7
[M+NH4]+ 232.16959 170.7
[M+K]+ 253.09893 150.6
[M+H-H2O]+ 197.13303 141.5
[M+HCOO]- 259.13397 164.9
[M+CH3COO]- 273.14962 160.1
[M+Na-2H]- 235.11044 154.7
[M]+ 214.13522 143.4
[M]- 214.13632 143.4
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

No patent data available for this compound.