CID 59216284

1006875-85-9

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₂

SMILES

COC(=O)C1(CC1)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C10H10ClNO2/c1-14-9(13)10(4-5-10)7-2-3-8(11)12-6-7/h2-3,6H,4-5H2,1H3

InChIKey

BQNPZKFQKMEKHZ-UHFFFAOYSA-N

Compound name

methyl 1-(6-chloropyridin-3-yl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 211.04001 Da
Monoisotopic Mass: 1.9
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]+	212.04729	143.4
[M+Na]+	234.02923	154.3
[M-H]-	210.03273	149.8
[M+NH4]+	229.07383	158.8
[M+K]+	250.00317	151.1
[M+H-H2O]+	194.03727	137.6
[M+HCOO]-	256.03821	161.7
[M+CH3COO]-	270.05386	186.5
[M+Na-2H]-	232.01468	150.0
[M]+	211.03946	149.1
[M]-	211.04056	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe