CID 357962

Tert-butyl n-(2-oxocyclopentyl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NC1CCCC1=O

InChI

InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h7H,4-6H2,1-3H3,(H,11,13)

InChIKey

UXSQXOIYRVCHBS-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-oxocyclopentyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 199.12085 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]+	200.128126	145.4
[M+Na]+	222.110068	151.0
[M-H]-	198.113574	148.7
[M+NH4]+	217.154673	166.2
[M+K]+	238.084008	150.7
[M+H-H2O]+	182.118110	140.4
[M+HCOO]-	244.119051	166.9
[M+CH3COO]-	258.134701	184.6
[M+Na-2H]-	220.095516	148.3
[M]+	199.12030142	144.6
[M]-	199.12139858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe