CID 134177162

2172931-40-5

Structural Information

Molecular Formula

C₉H₉ClN₂O

SMILES

CCN1CC2=C(C1=O)C=CN=C2Cl

InChI

InChI=1S/C9H9ClN2O/c1-2-12-5-7-6(9(12)13)3-4-11-8(7)10/h3-4H,2,5H2,1H3

InChIKey

YQVIRPVHDIBUPB-UHFFFAOYSA-N

Compound name

4-chloro-2-ethyl-3H-pyrrolo[3,4-c]pyridin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 196.04034 Da
Monoisotopic Mass: 1.2
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]+	197.04762	138.2
[M+Na]+	219.02956	152.4
[M+NH4]+	214.07416	147.2
[M+K]+	235.00350	146.9
[M-H]-	195.03306	139.4
[M+Na-2H]-	217.01501	143.7
[M]+	196.03979	140.8
[M]-	196.04089	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe