CID 12453830

Tert-butyl carbamoylformate

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

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

InChI

InChI=1S/C6H11NO3/c1-6(2,3)10-5(9)4(7)8/h1-3H3,(H2,7,8)

InChIKey

ZQRDALWGTYZXQR-UHFFFAOYSA-N

Compound name

tert-butyl 2-amino-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 145.0739 Da
Monoisotopic Mass: 0.4
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]+	146.081176	129.6
[M+Na]+	168.063118	136.8
[M-H]-	144.066624	129.9
[M+NH4]+	163.107723	150.8
[M+K]+	184.037058	137.7
[M+H-H2O]+	128.071160	125.5
[M+HCOO]-	190.072101	151.5
[M+CH3COO]-	204.087751	175.4
[M+Na-2H]-	166.048566	134.2
[M]+	145.07335142	130.0
[M]-	145.07444858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe