CID 199838

5096-24-2

Structural Information

Molecular Formula
C20H20
SMILES
CCC1CCC2=C1C=CC3=C(C4=CC=CC=C4C=C23)C
InChI
InChI=1S/C20H20/c1-3-14-8-9-19-18(14)11-10-17-13(2)16-7-5-4-6-15(16)12-20(17)19/h4-7,10-12,14H,3,8-9H2,1-2H3
InChIKey
LCRYYWPJVUWCSS-UHFFFAOYSA-N
Compound name
3-ethyl-6-methyl-2,3-dihydro-1H-cyclopenta[a]anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1565 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.16378 161.2
[M+Na]+ 283.14572 171.6
[M-H]- 259.14922 168.0
[M+NH4]+ 278.19032 183.6
[M+K]+ 299.11966 164.7
[M+H-H2O]+ 243.15376 154.5
[M+HCOO]- 305.15470 182.1
[M+CH3COO]- 319.17035 174.3
[M+Na-2H]- 281.13117 166.5
[M]+ 260.15595 163.1
[M]- 260.15705 163.1
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

No patent data available for this compound.