CID 84820093

954238-88-1

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O₂

SMILES

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)Cl)N

InChI

InChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)14-9-6-7(12)4-5-8(9)13/h4-6H,13H2,1-3H3,(H,14,15)

InChIKey

NMAXYAHHCCNXNL-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-amino-5-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 242.0822 Da
Monoisotopic Mass: 2.3
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]+	243.08948	153.7
[M+Na]+	265.07142	164.4
[M+NH4]+	260.11602	160.8
[M+K]+	281.04536	159.3
[M-H]-	241.07492	155.3
[M+Na-2H]-	263.05687	158.9
[M]+	242.08165	155.7
[M]-	242.08275	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe