CID 57456272

579474-49-0

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O₂

SMILES

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

InChI

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

InChIKey

RAAXZOKVGWKKCP-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-amino-4-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
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	154.2
[M+Na]+	265.07142	162.3
[M-H]-	241.07492	157.9
[M+NH4]+	260.11602	172.4
[M+K]+	281.04536	158.9
[M+H-H2O]+	225.07946	149.3
[M+HCOO]-	287.08040	173.1
[M+CH3COO]-	301.09605	195.1
[M+Na-2H]-	263.05687	158.4
[M]+	242.08165	155.9
[M]-	242.08275	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe