CID 53420025

1260817-77-3

Structural Information

Molecular Formula

C₉H₁₅NO₃

SMILES

CC(C)(C)OC(=O)NC1CCC1=O

InChI

InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-5-7(6)11/h6H,4-5H2,1-3H3,(H,10,12)

InChIKey

XLCYHPABMXGUFH-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-oxocyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 185.1052 Da
Monoisotopic Mass: 0.9
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]+	186.112476	141.1
[M+Na]+	208.094418	145.8
[M-H]-	184.097924	144.6
[M+NH4]+	203.139023	154.2
[M+K]+	224.068358	149.0
[M+H-H2O]+	168.102460	130.6
[M+HCOO]-	230.103401	161.5
[M+CH3COO]-	244.119051	186.8
[M+Na-2H]-	206.079866	145.1
[M]+	185.10465142	150.1
[M]-	185.10574858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe