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

19
Patents

144.04543 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.052706 127.0
[M+Na]+ 167.034648 137.3
[M-H]- 143.038154 127.9
[M+NH4]+ 162.079253 148.7
[M+K]+ 183.008588 134.4
[M+H-H2O]+ 127.042690 120.7
[M+HCOO]- 189.043631 145.9
[M+CH3COO]- 203.059281 172.9
[M+Na-2H]- 165.020096 133.1
[M]+ 144.04488142 129.5
[M]- 144.04597858 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