CID 608004

3a,9b-dimethyl-1,2,3a,4,5,9b-hexahydrocyclopenta[a]naphthalen-3-one

Structural Information

Molecular Formula
C15H18O
SMILES
CC12CCC3=CC=CC=C3C1(CCC2=O)C
InChI
InChI=1S/C15H18O/c1-14-10-8-13(16)15(14,2)9-7-11-5-3-4-6-12(11)14/h3-6H,7-10H2,1-2H3
InChIKey
YPDBVSLKKQRURP-UHFFFAOYSA-N
Compound name
3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.14305 149.4
[M+Na]+ 237.12499 158.2
[M-H]- 213.12849 154.8
[M+NH4]+ 232.16959 176.1
[M+K]+ 253.09893 153.7
[M+H-H2O]+ 197.13303 144.0
[M+HCOO]- 259.13397 168.4
[M+CH3COO]- 273.14962 162.6
[M+Na-2H]- 235.11044 155.3
[M]+ 214.13522 147.3
[M]- 214.13632 147.3
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.