CID 245952

7399-74-8

Structural Information

Molecular Formula

C₉H₁₁ClN₂O₂

SMILES

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

InChI

InChI=1S/C9H11ClN2O2/c1-6(2)14-9(13)12-8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,11,12,13)

InChIKey

OFPWKJNABBWYQL-UHFFFAOYSA-N

Compound name

propan-2-yl N-(5-chloropyridin-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 214.0509 Da
Monoisotopic Mass: 2.2
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]+	215.05818	143.6
[M+Na]+	237.04012	151.7
[M-H]-	213.04362	146.1
[M+NH4]+	232.08472	161.7
[M+K]+	253.01406	149.1
[M+H-H2O]+	197.04816	137.6
[M+HCOO]-	259.04910	162.1
[M+CH3COO]-	273.06475	187.3
[M+Na-2H]-	235.02557	148.6
[M]+	214.05035	146.5
[M]-	214.05145	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe