CID 2737415

128249-59-2

Structural Information

Molecular Formula

C₇H₉ClN₂O

SMILES

CCN1C(=CC(=N1)C)C(=O)Cl

InChI

InChI=1S/C7H9ClN2O/c1-3-10-6(7(8)11)4-5(2)9-10/h4H,3H2,1-2H3

InChIKey

ALEXVLREJYSWDY-UHFFFAOYSA-N

Compound name

2-ethyl-5-methylpyrazole-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 172.04034 Da
Monoisotopic Mass: 1.8
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]+	173.04762	133.0
[M+Na]+	195.02956	143.8
[M-H]-	171.03306	134.4
[M+NH4]+	190.07416	153.7
[M+K]+	211.00350	140.9
[M+H-H2O]+	155.03760	127.1
[M+HCOO]-	217.03854	151.0
[M+CH3COO]-	231.05419	178.9
[M+Na-2H]-	193.01501	136.7
[M]+	172.03979	136.4
[M]-	172.04089	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe