CID 4247255

Tert-butyl n-(2-oxoethyl)carbamate

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CC(C)(C)OC(=O)NCC=O

InChI

InChI=1S/C7H13NO3/c1-7(2,3)11-6(10)8-4-5-9/h5H,4H2,1-3H3,(H,8,10)

InChIKey

ACNRTYKOPZDRCO-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-oxoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4353
Patents: 159.08954 Da
Monoisotopic Mass: 0.5
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]+	160.096816	134.0
[M+Na]+	182.078758	140.9
[M-H]-	158.082264	134.5
[M+NH4]+	177.123363	154.9
[M+K]+	198.052698	141.5
[M+H-H2O]+	142.086800	129.5
[M+HCOO]-	204.087741	157.1
[M+CH3COO]-	218.103391	178.2
[M+Na-2H]-	180.064206	140.3
[M]+	159.08899142	136.4
[M]-	159.09008858	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe