CID 122163208

2-(chloromethyl)-4h,5h,6h-pyrrolo[1,2-b]pyrazole

Structural Information

Molecular Formula
C7H9ClN2
SMILES
C1CC2=CC(=NN2C1)CCl
InChI
InChI=1S/C7H9ClN2/c8-5-6-4-7-2-1-3-10(7)9-6/h4H,1-3,5H2
InChIKey
IMLYUHBBZVTTNG-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.04543 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 132.2
[M+Na]+ 179.03465 142.3
[M-H]- 155.03815 133.9
[M+NH4]+ 174.07925 156.0
[M+K]+ 195.00859 139.0
[M+H-H2O]+ 139.04269 125.9
[M+HCOO]- 201.04363 149.9
[M+CH3COO]- 215.05928 146.2
[M+Na-2H]- 177.02010 136.7
[M]+ 156.04488 133.2
[M]- 156.04598 133.2
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.