CID 607587

2(3h)-phenanthrenone, 4,4a,9,10-tetrahydro-4a-methyl-

Structural Information

Molecular Formula
C15H16O
SMILES
CC12CCC(=O)C=C1CCC3=CC=CC=C23
InChI
InChI=1S/C15H16O/c1-15-9-8-13(16)10-12(15)7-6-11-4-2-3-5-14(11)15/h2-5,10H,6-9H2,1H3
InChIKey
FSPGJSRKHCJARC-UHFFFAOYSA-N
Compound name
4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

212.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.127396 146.6
[M+Na]+ 235.109338 154.4
[M-H]- 211.112844 151.7
[M+NH4]+ 230.153943 169.4
[M+K]+ 251.083278 150.0
[M+H-H2O]+ 195.117380 140.0
[M+HCOO]- 257.118321 164.9
[M+CH3COO]- 271.133971 159.2
[M+Na-2H]- 233.094786 154.3
[M]+ 212.11957142 143.4
[M]- 212.12066858 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

patents stripe