CID 79857819

1422469-43-9

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂

SMILES

CC1(CCC2=CC(=C(N=C21)Cl)C#N)C

InChI

InChI=1S/C11H11ClN2/c1-11(2)4-3-7-5-8(6-13)10(12)14-9(7)11/h5H,3-4H2,1-2H3

InChIKey

VBQZZZMWBAHYCL-UHFFFAOYSA-N

Compound name

2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 206.06108 Da
Monoisotopic Mass: 3.1
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]+	207.06836	139.8
[M+Na]+	229.05030	153.2
[M+NH4]+	224.09490	147.3
[M+K]+	245.02424	142.6
[M-H]-	205.05380	134.8
[M+Na-2H]-	227.03575	144.5
[M]+	206.06053	140.0
[M]-	206.06163	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe