CID 4115492

9-cyclohexyl-9-methylfluorene

Structural Information

Molecular Formula
C20H22
SMILES
CC1(C2=CC=CC=C2C3=CC=CC=C31)C4CCCCC4
InChI
InChI=1S/C20H22/c1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h5-8,11-15H,2-4,9-10H2,1H3
InChIKey
LSLMRJQHMXQNEF-UHFFFAOYSA-N
Compound name
9-cyclohexyl-9-methylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.17215 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.179426 164.2
[M+Na]+ 285.161368 170.9
[M-H]- 261.164874 172.0
[M+NH4]+ 280.205973 186.4
[M+K]+ 301.135308 164.5
[M+H-H2O]+ 245.169410 156.3
[M+HCOO]- 307.170351 182.6
[M+CH3COO]- 321.186001 175.7
[M+Na-2H]- 283.146816 168.1
[M]+ 262.17160142 160.0
[M]- 262.17269858 160.0
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

patents stripe