CID 67638969

1629535-19-8

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

CC(C)(C)OC(=O)NC1=CC2=CC=CC=C2O1

InChI

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

InChIKey

AKWKOAIDKNPCSS-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-benzofuran-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.1052 Da
Monoisotopic Mass: 3.2
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]+	234.112476	151.4
[M+Na]+	256.094418	160.1
[M-H]-	232.097924	157.4
[M+NH4]+	251.139023	171.0
[M+K]+	272.068358	159.3
[M+H-H2O]+	216.102460	146.0
[M+HCOO]-	278.103401	175.2
[M+CH3COO]-	292.119051	191.0
[M+Na-2H]-	254.079866	159.4
[M]+	233.10465142	156.3
[M]-	233.10574858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe