CID 614549

2670-23-7

Structural Information

Molecular Formula
C16H16O2
SMILES
CC1=C(CC2C(C1)C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C16H16O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-6,13-14H,7-8H2,1-2H3
InChIKey
YFXCHAUHDMOLPI-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

240.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 151.3
[M+Na]+ 263.10426 160.5
[M-H]- 239.10776 156.9
[M+NH4]+ 258.14886 171.7
[M+K]+ 279.07820 156.0
[M+H-H2O]+ 223.11230 145.0
[M+HCOO]- 285.11324 169.5
[M+CH3COO]- 299.12889 196.9
[M+Na-2H]- 261.08971 155.8
[M]+ 240.11449 150.2
[M]- 240.11559 150.2
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