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]+ 171.06836 137.3
[M+Na]+ 193.05030 149.2
[M-H]- 169.05380 142.1
[M+NH4]+ 188.09490 153.1
[M+K]+ 209.02424 144.3
[M+H-H2O]+ 153.05834 130.1
[M+HCOO]- 215.05928 155.9
[M+CH3COO]- 229.07493 181.9
[M+Na-2H]- 191.03575 141.5
[M]+ 170.06053 141.6
[M]- 170.06163 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.