CID 165747451

5-(chloromethyl)-4-cyclopropyl-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C8H11ClN2
SMILES
CN1C(=C(C=N1)C2CC2)CCl
InChI
InChI=1S/C8H11ClN2/c1-11-8(4-9)7(5-10-11)6-2-3-6/h5-6H,2-4H2,1H3
InChIKey
CABWITWZHDMTAV-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-4-cyclopropyl-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06108 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.068356 137.3
[M+Na]+ 193.050298 149.2
[M-H]- 169.053804 142.1
[M+NH4]+ 188.094903 153.1
[M+K]+ 209.024238 144.3
[M+H-H2O]+ 153.058340 130.1
[M+HCOO]- 215.059281 155.9
[M+CH3COO]- 229.074931 181.9
[M+Na-2H]- 191.035746 141.5
[M]+ 170.06053142 141.6
[M]- 170.06162858 141.6
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

No patent data available for this compound.