CID 165944055

3-(chloromethyl)-1-cyclopropyl-1h-pyrazole hydrochloride

Structural Information

Molecular Formula
C7H9ClN2
SMILES
C1CC1N2C=CC(=N2)CCl
InChI
InChI=1S/C7H9ClN2/c8-5-6-3-4-10(9-6)7-1-2-7/h3-4,7H,1-2,5H2
InChIKey
GAQMSNIQHJFUSL-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-cyclopropylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

156.04543 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 133.2
[M+Na]+ 179.03465 144.6
[M-H]- 155.03815 137.8
[M+NH4]+ 174.07925 149.2
[M+K]+ 195.00859 140.1
[M+H-H2O]+ 139.04269 125.8
[M+HCOO]- 201.04363 152.1
[M+CH3COO]- 215.05928 146.7
[M+Na-2H]- 177.02010 138.6
[M]+ 156.04488 136.7
[M]- 156.04598 136.7
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