CID 1149979

85650-04-0

Structural Information

Molecular Formula

C₇H₁₁ClN₂

SMILES

CC1=CC(=NN1CCCl)C

InChI

InChI=1S/C7H11ClN2/c1-6-5-7(2)10(9-6)4-3-8/h5H,3-4H2,1-2H3

InChIKey

ZJGHDGBFXNKMPW-UHFFFAOYSA-N

Compound name

1-(2-chloroethyl)-3,5-dimethylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 158.06108 Da
Monoisotopic Mass: 1.6
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]+	159.06836	130.9
[M+Na]+	181.05030	144.3
[M+NH4]+	176.09490	139.6
[M+K]+	197.02424	138.9
[M-H]-	157.05380	131.7
[M+Na-2H]-	179.03575	137.0
[M]+	158.06053	133.2
[M]-	158.06163	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe