CID 14760311

Tert-butyl 3-(methylamino)propanoate

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CC(C)(C)OC(=O)CCNC

InChI

InChI=1S/C8H17NO2/c1-8(2,3)11-7(10)5-6-9-4/h9H,5-6H2,1-4H3

InChIKey

QFMOPRNLDIPINY-UHFFFAOYSA-N

Compound name

tert-butyl 3-(methylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 390
Patents: 159.12593 Da
Monoisotopic Mass: 0.6
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]+	160.13321	136.9
[M+Na]+	182.11515	145.3
[M+NH4]+	177.15975	143.7
[M+K]+	198.08909	141.3
[M-H]-	158.11865	135.6
[M+Na-2H]-	180.10060	139.7
[M]+	159.12538	137.4
[M]-	159.12648	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe