CID 53432593

320581-97-3

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N=C=O

InChI

InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-6-4-9(5-7-13)12-8-14/h9H,4-7H2,1-3H3

InChIKey

FTILVURMLRFBRO-UHFFFAOYSA-N

Compound name

tert-butyl 4-isocyanatopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 226.13174 Da
Monoisotopic Mass: 2.4
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]+	227.13902	151.6
[M+Na]+	249.12096	156.8
[M-H]-	225.12446	154.5
[M+NH4]+	244.16556	168.9
[M+K]+	265.09490	156.5
[M+H-H2O]+	209.12900	144.9
[M+HCOO]-	271.12994	171.2
[M+CH3COO]-	285.14559	191.7
[M+Na-2H]-	247.10641	155.7
[M]+	226.13119	150.8
[M]-	226.13229	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe