CID 129320172

1935192-97-4

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

CC(C)(C)OC(=O)NC1=COC2=CC=CC=C21

InChI

InChI=1S/C13H15NO3/c1-13(2,3)17-12(15)14-10-8-16-11-7-5-4-6-9(10)11/h4-8H,1-3H3,(H,14,15)

InChIKey

TYUPVMGBIXSHEG-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-benzofuran-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.1052 Da
Monoisotopic Mass: 2.9
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]+	234.11248	151.4
[M+Na]+	256.09442	160.1
[M-H]-	232.09792	157.4
[M+NH4]+	251.13902	171.0
[M+K]+	272.06836	159.3
[M+H-H2O]+	216.10246	146.0
[M+HCOO]-	278.10340	175.2
[M+CH3COO]-	292.11905	191.0
[M+Na-2H]-	254.07987	159.4
[M]+	233.10465	156.3
[M]-	233.10575	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe