CID 165623253

Tert-butyl n-[1-(prop-2-yn-1-yl)cyclobutyl]carbamate

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CC(C)(C)OC(=O)NC1(CCC1)CC#C

InChI

InChI=1S/C12H19NO2/c1-5-7-12(8-6-9-12)13-10(14)15-11(2,3)4/h1H,6-9H2,2-4H3,(H,13,14)

InChIKey

ODAFWYDYOGMXJK-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-prop-2-ynylcyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.14159 Da
Monoisotopic Mass: 2.2
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]+	210.148866	150.8
[M+Na]+	232.130808	156.9
[M-H]-	208.134314	153.1
[M+NH4]+	227.175413	163.4
[M+K]+	248.104748	158.6
[M+H-H2O]+	192.138850	136.3
[M+HCOO]-	254.139791	165.0
[M+CH3COO]-	268.155441	198.3
[M+Na-2H]-	230.116256	154.4
[M]+	209.14104142	153.6
[M]-	209.14213858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe