CID 124253637

Tert-butyl 2-[methyl(prop-2-yn-1-yl)amino]acetate

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC(C)(C)OC(=O)CN(C)CC#C

InChI

InChI=1S/C10H17NO2/c1-6-7-11(5)8-9(12)13-10(2,3)4/h1H,7-8H2,2-5H3

InChIKey

IZWDCIHJHOVGIQ-UHFFFAOYSA-N

Compound name

tert-butyl 2-[methyl(prop-2-ynyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.12593 Da
Monoisotopic Mass: 1.3
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]+	184.13321	141.6
[M+Na]+	206.11515	150.0
[M+NH4]+	201.15975	144.8
[M+K]+	222.08909	143.2
[M-H]-	182.11865	132.7
[M+Na-2H]-	204.10060	141.7
[M]+	183.12538	139.2
[M]-	183.12648	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe