CID 97617076

3-(chloromethyl)-1-propyl-1h-pyrazole

Structural Information

Molecular Formula
C7H11ClN2
SMILES
CCCN1C=CC(=N1)CCl
InChI
InChI=1S/C7H11ClN2/c1-2-4-10-5-3-7(6-8)9-10/h3,5H,2,4,6H2,1H3
InChIKey
NUWVUPMTMSOMQG-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-propylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.06108 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06836 131.1
[M+Na]+ 181.05030 144.1
[M+NH4]+ 176.09490 139.9
[M+K]+ 197.02424 138.6
[M-H]- 157.05380 131.9
[M+Na-2H]- 179.03575 137.4
[M]+ 158.06053 133.4
[M]- 158.06163 133.4
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.

Patent stripe

No patent data available for this compound.