CID 18366137

124045-51-8

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

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

InChI

InChI=1S/C9H15NO2/c1-6-7-10(5)8(11)12-9(2,3)4/h1H,7H2,2-5H3

InChIKey

QVMLIHFGUIRVKU-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-prop-2-ynylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 374
Patents: 169.11028 Da
Monoisotopic Mass: 1.2
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	137.8
[M+Na]+	192.09950	146.4
[M+NH4]+	187.14410	141.2
[M+K]+	208.07344	139.8
[M-H]-	168.10300	129.0
[M+Na-2H]-	190.08495	138.1
[M]+	169.10973	135.5
[M]-	169.11083	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe