CID 25248281

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

Structural Information

Molecular Formula
C6H9ClN2
SMILES
CCN1C(=CC=N1)CCl
InChI
InChI=1S/C6H9ClN2/c1-2-9-6(5-7)3-4-8-9/h3-4H,2,5H2,1H3
InChIKey
QXLXOKBFCXKMET-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-ethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

144.04543 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05271 127.0
[M+Na]+ 167.03465 137.3
[M-H]- 143.03815 127.9
[M+NH4]+ 162.07925 148.7
[M+K]+ 183.00859 134.4
[M+H-H2O]+ 127.04269 120.7
[M+HCOO]- 189.04363 145.9
[M+CH3COO]- 203.05928 172.9
[M+Na-2H]- 165.02010 133.1
[M]+ 144.04488 129.5
[M]- 144.04598 129.5
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