CID 53799891

66937-72-2

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

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

InChI

InChI=1S/C9H15NO2/c1-5-6-10-7-8(11)12-9(2,3)4/h1,10H,6-7H2,2-4H3

InChIKey

FHRJHJLYLHPRPU-UHFFFAOYSA-N

Compound name

tert-butyl 2-(prop-2-ynylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 169.11028 Da
Monoisotopic Mass: 0.8
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]+	170.11756	140.2
[M+Na]+	192.09950	148.3
[M-H]-	168.10300	139.9
[M+NH4]+	187.14410	158.4
[M+K]+	208.07344	147.5
[M+H-H2O]+	152.10754	129.6
[M+HCOO]-	214.10848	156.8
[M+CH3COO]-	228.12413	190.2
[M+Na-2H]-	190.08495	144.5
[M]+	169.10973	136.6
[M]-	169.11083	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe