CID 15040020

1-(3-chloropropyl)-1h-pyrazole hydrochloride

Structural Information

Molecular Formula
C6H9ClN2
SMILES
C1=CN(N=C1)CCCCl
InChI
InChI=1S/C6H9ClN2/c7-3-1-5-9-6-2-4-8-9/h2,4,6H,1,3,5H2
InChIKey
CJBKSGFNWDNDDV-UHFFFAOYSA-N
Compound name
1-(3-chloropropyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

144.04543 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.052706 127.3
[M+Na]+ 167.034648 136.6
[M-H]- 143.038154 127.8
[M+NH4]+ 162.079253 148.6
[M+K]+ 183.008588 133.7
[M+H-H2O]+ 127.042690 120.7
[M+HCOO]- 189.043631 146.1
[M+CH3COO]- 203.059281 171.9
[M+Na-2H]- 165.020096 134.0
[M]+ 144.04488142 129.4
[M]- 144.04597858 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe