CID 4067274

Tert-butyl allylcarbamate

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(C)(C)OC(=O)NCC=C

InChI

InChI=1S/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10)

InChIKey

AWARHXCROCWEAK-UHFFFAOYSA-N

Compound name

tert-butyl N-prop-2-enylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 945
Patents: 157.11028 Da
Monoisotopic Mass: 1.6
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]+	158.11756	136.3
[M+Na]+	180.09950	144.8
[M+NH4]+	175.14410	142.9
[M+K]+	196.07344	140.6
[M-H]-	156.10300	134.7
[M+Na-2H]-	178.08495	139.0
[M]+	157.10973	136.7
[M]-	157.11083	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe