CID 53419904

1260674-55-2

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NCC1CCC(=O)C1

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-8-4-5-9(13)6-8/h8H,4-7H2,1-3H3,(H,12,14)

InChIKey

OAOABSXMRINSEL-UHFFFAOYSA-N

Compound name

tert-butyl N-[(3-oxocyclopentyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 213.13649 Da
Monoisotopic Mass: 1.0
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]+	214.14377	150.1
[M+Na]+	236.12571	156.9
[M+NH4]+	231.17031	156.4
[M+K]+	252.09965	155.0
[M-H]-	212.12921	149.4
[M+Na-2H]-	234.11116	152.0
[M]+	213.13594	150.4
[M]-	213.13704	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe