CID 63310303

1072502-03-4

Structural Information

Molecular Formula

C₂₁H₂₃NO₃

SMILES

C1CN(CCC1CO)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C21H23NO3/c23-13-15-9-11-22(12-10-15)21(24)25-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20,23H,9-14H2

InChIKey

YYTSXYVXBGQKCP-UHFFFAOYSA-N

Compound name

9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 337.1678 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	338.175076	180.9
[M+Na]+	360.157018	185.9
[M-H]-	336.160524	185.7
[M+NH4]+	355.201623	195.8
[M+K]+	376.130958	180.5
[M+H-H2O]+	320.165060	172.3
[M+HCOO]-	382.166001	195.6
[M+CH3COO]-	396.181651	189.9
[M+Na-2H]-	358.142466	181.7
[M]+	337.16725142	178.8
[M]-	337.16834858	178.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe