CID 2756143

(9h-fluoren-9-yl)methyl piperazine-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C19H20N2O2
SMILES
C1CN(CCN1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C19H20N2O2/c22-19(21-11-9-20-10-12-21)23-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18,20H,9-13H2
InChIKey
GZBLLBMXRTZBSX-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

308.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 172.9
[M+Na]+ 331.141688 178.1
[M-H]- 307.145194 176.3
[M+NH4]+ 326.186293 187.4
[M+K]+ 347.115628 172.2
[M+H-H2O]+ 291.149730 163.5
[M+HCOO]- 353.150671 186.9
[M+CH3COO]- 367.166321 181.9
[M+Na-2H]- 329.127136 175.3
[M]+ 308.15192142 168.8
[M]- 308.15301858 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe