CID 60136550

5-(chloromethyl)-1-cyclopentyl-1h-pyrazole

Structural Information

Molecular Formula
C9H13ClN2
SMILES
C1CCC(C1)N2C(=CC=N2)CCl
InChI
InChI=1S/C9H13ClN2/c10-7-9-5-6-11-12(9)8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKey
JMFZWOQTWNDMRI-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-cyclopentylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07672 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08400 138.8
[M+Na]+ 207.06594 150.6
[M+NH4]+ 202.11054 148.1
[M+K]+ 223.03988 146.9
[M-H]- 183.06944 141.2
[M+Na-2H]- 205.05139 145.2
[M]+ 184.07617 141.3
[M]- 184.07727 141.3
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.