CID 2778354

2-chloro-n-(1,3-dimethyl-1h-pyrazol-5-yl)acetamide

Structural Information

Molecular Formula

C₇H₁₀ClN₃O

SMILES

CC1=NN(C(=C1)NC(=O)CCl)C

InChI

InChI=1S/C7H10ClN3O/c1-5-3-6(11(2)10-5)9-7(12)4-8/h3H,4H2,1-2H3,(H,9,12)

InChIKey

XIKWBUIHJKCCDR-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 187.05124 Da
Monoisotopic Mass: 0.8
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]+	188.058516	138.4
[M+Na]+	210.040458	148.3
[M-H]-	186.043964	139.8
[M+NH4]+	205.085063	158.2
[M+K]+	226.014398	145.3
[M+H-H2O]+	170.048500	132.0
[M+HCOO]-	232.049441	157.5
[M+CH3COO]-	246.065091	183.0
[M+Na-2H]-	208.025906	142.4
[M]+	187.05069142	141.0
[M]-	187.05178858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe