CID 2736490

148928-15-8

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1CN(CCC1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-20(24)14-9-11-22(12-10-14)21(25)26-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19H,9-13H2,(H,23,24)
InChIKey
OJYOOHSQOIDDOO-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

391
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

literature stripe

Patent stripe

patents stripe