CID 21702025

219706-58-8

Structural Information

Molecular Formula

C₁₂H₁₆ClNO₂

SMILES

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

InChI

InChI=1S/C12H16ClNO2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h4-7H,8H2,1-3H3,(H,14,15)

InChIKey

RAHGJAIFYCYZQQ-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(chloromethyl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 241.08696 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]+	242.09424	153.9
[M+Na]+	264.07618	165.7
[M+NH4]+	259.12078	161.7
[M+K]+	280.05012	159.6
[M-H]-	240.07968	155.4
[M+Na-2H]-	262.06163	160.0
[M]+	241.08641	156.3
[M]-	241.08751	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe