CID 3047213

63040-45-9

Structural Information

Molecular Formula
C19H18
SMILES
CC1CCC2=C1C=CC3=C(C4=CC=CC=C4C=C23)C
InChI
InChI=1S/C19H18/c1-12-7-8-18-15(12)9-10-17-13(2)16-6-4-3-5-14(16)11-19(17)18/h3-6,9-12H,7-8H2,1-2H3
InChIKey
FQLXHPIAVANCEN-UHFFFAOYSA-N
Compound name
3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.14085 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14813 156.3
[M+Na]+ 269.13007 167.2
[M-H]- 245.13357 163.4
[M+NH4]+ 264.17467 179.3
[M+K]+ 285.10401 160.5
[M+H-H2O]+ 229.13811 149.8
[M+HCOO]- 291.13905 177.6
[M+CH3COO]- 305.15470 169.9
[M+Na-2H]- 267.11552 162.3
[M]+ 246.14030 158.0
[M]- 246.14140 158.0
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.