CID 14537079

115655-44-2

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₄

SMILES

CC(C)(C)OC(=O)NC1(CCNCC1)C(=O)OC

InChI

InChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12/h13H,5-8H2,1-4H3,(H,14,16)

InChIKey

XWBFIPVPQLAHMA-UHFFFAOYSA-N

Compound name

methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 262
Patents: 258.15796 Da
Monoisotopic Mass: 0.8
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]+	259.165236	160.7
[M+Na]+	281.147178	164.0
[M-H]-	257.150684	160.5
[M+NH4]+	276.191783	176.9
[M+K]+	297.121118	163.9
[M+H-H2O]+	241.155220	155.2
[M+HCOO]-	303.156161	175.9
[M+CH3COO]-	317.171811	192.0
[M+Na-2H]-	279.132626	164.4
[M]+	258.15741142	158.1
[M]-	258.15850858	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe