CID 59525686

4-(2-chloroethyl)-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C6H9ClN2
SMILES
CN1C=C(C=N1)CCCl
InChI
InChI=1S/C6H9ClN2/c1-9-5-6(2-3-7)4-8-9/h4-5H,2-3H2,1H3
InChIKey
OAYGXNCRHZTQEB-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

144.04543 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05271 126.5
[M+Na]+ 167.03465 139.8
[M+NH4]+ 162.07925 135.5
[M+K]+ 183.00859 134.5
[M-H]- 143.03815 127.4
[M+Na-2H]- 165.02010 133.1
[M]+ 144.04488 128.9
[M]- 144.04598 128.9
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