CID 2756141

1-(((9h-fluoren-9-yl)methoxy)carbonyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1CC(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H21NO4/c23-20(24)14-6-5-11-22(12-14)21(25)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19H,5-6,11-13H2,(H,23,24)
InChIKey
FINXGQXNIBNREL-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

351.14706 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 182.5
[M+Na]+ 374.13628 187.2
[M-H]- 350.13978 187.4
[M+NH4]+ 369.18088 196.5
[M+K]+ 390.11022 182.6
[M+H-H2O]+ 334.14432 174.1
[M+HCOO]- 396.14526 196.6
[M+CH3COO]- 410.16091 191.3
[M+Na-2H]- 372.12173 182.4
[M]+ 351.14651 180.6
[M]- 351.14761 180.6
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