CID 165747451

5-(chloromethyl)-4-cyclopropyl-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C8H11ClN2
SMILES
CN1C(=C(C=N1)C2CC2)CCl
InChI
InChI=1S/C8H11ClN2/c1-11-8(4-9)7(5-10-11)6-2-3-6/h5-6H,2-4H2,1H3
InChIKey
CABWITWZHDMTAV-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-4-cyclopropyl-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06108 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06836 134.2
[M+Na]+ 193.05030 148.9
[M+NH4]+ 188.09490 143.8
[M+K]+ 209.02424 144.9
[M-H]- 169.05380 143.2
[M+Na-2H]- 191.03575 143.6
[M]+ 170.06053 140.2
[M]- 170.06163 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.