CID 245954

7460-24-4

Structural Information

Molecular Formula

C₁₂H₁₆ClNO₂

SMILES

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

InChI

InChI=1S/C12H16ClNO2/c1-4-12(2,3)16-11(15)14-10-7-5-6-9(13)8-10/h5-8H,4H2,1-3H3,(H,14,15)

InChIKey

PXKLJLHBYKBEHS-UHFFFAOYSA-N

Compound name

2-methylbutan-2-yl N-(3-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.08696 Da
Monoisotopic Mass: 4.1
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]+	242.094236	153.6
[M+Na]+	264.076178	161.2
[M-H]-	240.079684	157.4
[M+NH4]+	259.120783	172.2
[M+K]+	280.050118	157.9
[M+H-H2O]+	224.084220	148.6
[M+HCOO]-	286.085161	171.9
[M+CH3COO]-	300.100811	193.1
[M+Na-2H]-	262.061626	158.9
[M]+	241.08641142	157.3
[M]-	241.08750858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.