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

210
Patents

351.14706 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 182.5
[M+Na]+ 374.136278 187.2
[M-H]- 350.139784 187.4
[M+NH4]+ 369.180883 196.5
[M+K]+ 390.110218 182.6
[M+H-H2O]+ 334.144320 174.1
[M+HCOO]- 396.145261 196.6
[M+CH3COO]- 410.160911 191.3
[M+Na-2H]- 372.121726 182.4
[M]+ 351.14651142 180.6
[M]- 351.14760858 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