CID 4180461

4-fmoc-piperazine-2-carboxylic acid

Structural Information

Molecular Formula
C20H20N2O4
SMILES
C1CN(CC(N1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H20N2O4/c23-19(24)18-11-22(10-9-21-18)20(25)26-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,21H,9-12H2,(H,23,24)
InChIKey
MVXOLCRCKMWZCB-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

352.1423 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 182.0
[M+Na]+ 375.13152 186.7
[M-H]- 351.13502 184.4
[M+NH4]+ 370.17612 193.9
[M+K]+ 391.10546 181.4
[M+H-H2O]+ 335.13956 173.2
[M+HCOO]- 397.14050 193.6
[M+CH3COO]- 411.15615 189.9
[M+Na-2H]- 373.11697 182.2
[M]+ 352.14175 178.6
[M]- 352.14285 178.6
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