CID 11715255

Tert-butyl 2-acetamidoacetate

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

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

InChI

InChI=1S/C8H15NO3/c1-6(10)9-5-7(11)12-8(2,3)4/h5H2,1-4H3,(H,9,10)

InChIKey

JNMRCHHHNJFCBU-UHFFFAOYSA-N

Compound name

tert-butyl 2-acetamidoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 173.1052 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]+	174.112476	138.5
[M+Na]+	196.094418	144.8
[M-H]-	172.097924	139.0
[M+NH4]+	191.139023	158.8
[M+K]+	212.068358	145.6
[M+H-H2O]+	156.102460	133.9
[M+HCOO]-	218.103401	160.3
[M+CH3COO]-	232.119051	182.1
[M+Na-2H]-	194.079866	143.1
[M]+	173.10465142	140.7
[M]-	173.10574858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe