CID 2759173

4-n-fmoc-amino-cyclohexanone

Structural Information

Molecular Formula
C21H21NO3
SMILES
C1CC(=O)CCC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO3/c23-15-11-9-14(10-12-15)22-21(24)25-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14,20H,9-13H2,(H,22,24)
InChIKey
PGHGDSRIILPGMC-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-(4-oxocyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

335.15213 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15941 177.7
[M+Na]+ 358.14135 182.6
[M-H]- 334.14485 185.2
[M+NH4]+ 353.18595 194.3
[M+K]+ 374.11529 177.6
[M+H-H2O]+ 318.14939 169.6
[M+HCOO]- 380.15033 196.5
[M+CH3COO]- 394.16598 187.7
[M+Na-2H]- 356.12680 179.7
[M]+ 335.15158 175.6
[M]- 335.15268 175.6
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