CID 22717

6289-19-6

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CC(C)(C#C)OC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C12H13NO2/c1-4-12(2,3)15-11(14)13-10-8-6-5-7-9-10/h1,5-9H,2-3H3,(H,13,14)

InChIKey

ULBSSUIJJSCNPA-UHFFFAOYSA-N

Compound name

2-methylbut-3-yn-2-yl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1
Patents: 203.09464 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]+	204.10192	147.7
[M+Na]+	226.08386	158.3
[M+NH4]+	221.12846	151.5
[M+K]+	242.05780	149.9
[M-H]-	202.08736	141.0
[M+Na-2H]-	224.06931	150.7
[M]+	203.09409	146.4
[M]-	203.09519	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe