CID 146049651

Rac-(3r,4s)-1-[(tert-butoxy)carbonyl]-3-(ethoxycarbonyl)-4-isocyanopiperidine

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₄

SMILES

CCOC(=O)[C@@H]1CN(CC[C@@H]1[N+]#[C-])C(=O)OC(C)(C)C

InChI

InChI=1S/C14H22N2O4/c1-6-19-12(17)10-9-16(8-7-11(10)15-5)13(18)20-14(2,3)4/h10-11H,6-9H2,1-4H3/t10-,11+/m1/s1

InChIKey

AYFAWDNZYNVRAB-MNOVXSKESA-N

Compound name

1-O-tert-butyl 3-O-ethyl (3R,4S)-4-isocyanopiperidine-1,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.15796 Da
Monoisotopic Mass: 1.2
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]+	283.165236	169.4
[M+Na]+	305.147178	175.5
[M-H]-	281.150684	169.5
[M+NH4]+	300.191783	181.8
[M+K]+	321.121118	169.4
[M+H-H2O]+	265.155220	161.2
[M+HCOO]-	327.156161	180.9
[M+CH3COO]-	341.171811	200.4
[M+Na-2H]-	303.132626	171.0
[M]+	282.15741142	161.6
[M]-	282.15850858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.