CID 259745

Sec-butyl carbanilate

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

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

InChI

InChI=1S/C11H15NO2/c1-3-9(2)14-11(13)12-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,12,13)

InChIKey

IAZMIVQLMAXXLT-UHFFFAOYSA-N

Compound name

butan-2-yl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 193.11028 Da
Monoisotopic Mass: 3.1
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]+	194.117556	143.8
[M+Na]+	216.099498	149.3
[M-H]-	192.103004	147.2
[M+NH4]+	211.144103	162.9
[M+K]+	232.073438	148.3
[M+H-H2O]+	176.107540	137.4
[M+HCOO]-	238.108481	167.5
[M+CH3COO]-	252.124131	185.7
[M+Na-2H]-	214.084946	148.7
[M]+	193.10973142	144.4
[M]-	193.11082858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe