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

6
Patents

156.04543 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.052706 133.2
[M+Na]+ 179.034648 144.6
[M-H]- 155.038154 137.8
[M+NH4]+ 174.079253 149.2
[M+K]+ 195.008588 140.1
[M+H-H2O]+ 139.042690 125.8
[M+HCOO]- 201.043631 152.1
[M+CH3COO]- 215.059281 146.7
[M+Na-2H]- 177.020096 138.6
[M]+ 156.04488142 136.7
[M]- 156.04597858 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