CID 22574154

148148-48-5

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₄

SMILES

CN(C(=O)C1CCN(CC1)C(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C16H22N2O4/c1-17(21-2)15(19)14-8-10-18(11-9-14)16(20)22-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3

InChIKey

XVSOLNIURSFPEU-UHFFFAOYSA-N

Compound name

benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 306.15796 Da
Monoisotopic Mass: 1.6
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]+	307.165236	171.5
[M+Na]+	329.147178	174.2
[M-H]-	305.150684	176.9
[M+NH4]+	324.191783	184.5
[M+K]+	345.121118	173.9
[M+H-H2O]+	289.155220	162.2
[M+HCOO]-	351.156161	190.4
[M+CH3COO]-	365.171811	207.6
[M+Na-2H]-	327.132626	172.4
[M]+	306.15741142	171.3
[M]-	306.15850858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe