CID 27376

15547-17-8

Structural Information

Molecular Formula
C16H16O2
SMILES
CCC1=CC2=C(C=C1)C(=O)C3=C(C2=O)CCCC3
InChI
InChI=1S/C16H16O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h7-9H,2-6H2,1H3
InChIKey
PXLXSNXYTNRKFR-UHFFFAOYSA-N
Compound name
6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

295
Patents

240.11504 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.122316 151.7
[M+Na]+ 263.104258 159.9
[M-H]- 239.107764 156.9
[M+NH4]+ 258.148863 171.7
[M+K]+ 279.078198 155.3
[M+H-H2O]+ 223.112300 145.1
[M+HCOO]- 285.113241 169.9
[M+CH3COO]- 299.128891 195.7
[M+Na-2H]- 261.089706 156.8
[M]+ 240.11449142 150.1
[M]- 240.11558858 150.1
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

patents stripe