CID 368568

Nsc639661

Structural Information

Molecular Formula
C17H18O2
SMILES
CC(C)C1=CC2=C(C3=C(CCCC3)C=C2)C(=O)C1=O
InChI
InChI=1S/C17H18O2/c1-10(2)14-9-12-8-7-11-5-3-4-6-13(11)15(12)17(19)16(14)18/h7-10H,3-6H2,1-2H3
InChIKey
VPXFMBKWKKHRPD-UHFFFAOYSA-N
Compound name
2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.13068 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 156.3
[M+Na]+ 277.11990 163.7
[M-H]- 253.12340 161.3
[M+NH4]+ 272.16450 175.6
[M+K]+ 293.09384 159.4
[M+H-H2O]+ 237.12794 149.7
[M+HCOO]- 299.12888 173.1
[M+CH3COO]- 313.14453 199.6
[M+Na-2H]- 275.10535 159.6
[M]+ 254.13013 154.4
[M]- 254.13123 154.4
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.