CID 59650929

Tert-butyl n-(2-methylbut-3-yn-1-yl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

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

InChI

InChI=1S/C10H17NO2/c1-6-8(2)7-11-9(12)13-10(3,4)5/h1,8H,7H2,2-5H3,(H,11,12)

InChIKey

RVIKGTGYONGIHJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-methylbut-3-ynyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 183.12593 Da
Monoisotopic Mass: 1.8
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]+	184.13321	145.3
[M+Na]+	206.11515	152.8
[M-H]-	182.11865	144.9
[M+NH4]+	201.15975	163.0
[M+K]+	222.08909	152.3
[M+H-H2O]+	166.12319	134.6
[M+HCOO]-	228.12413	160.7
[M+CH3COO]-	242.13978	193.1
[M+Na-2H]-	204.10060	147.9
[M]+	183.12538	141.3
[M]-	183.12648	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe