CID 45707

2-(monoisobutyl)ethyl 9-fluorenecarboxylate hydrochloride

Structural Information

Molecular Formula
C20H23NO2
SMILES
CCC(C)NCCOC(=O)C1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H23NO2/c1-3-14(2)21-12-13-23-20(22)19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19,21H,3,12-13H2,1-2H3
InChIKey
TVOCDNGFORMKEG-UHFFFAOYSA-N
Compound name
2-(butan-2-ylamino)ethyl 9H-fluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 175.9
[M+Na]+ 332.16210 181.6
[M-H]- 308.16560 180.7
[M+NH4]+ 327.20670 194.2
[M+K]+ 348.13604 177.2
[M+H-H2O]+ 292.17014 168.7
[M+HCOO]- 354.17108 196.7
[M+CH3COO]- 368.18673 210.7
[M+Na-2H]- 330.14755 178.4
[M]+ 309.17233 178.7
[M]- 309.17343 178.7
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.