CID 64788738

2253630-50-9

Structural Information

Molecular Formula
C5H7IN2
SMILES
C1=CN(N=C1)CCI
InChI
InChI=1S/C5H7IN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
InChIKey
MZRPANQCJBYNGS-UHFFFAOYSA-N
Compound name
1-(2-iodoethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

221.9654 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.97268 125.8
[M+Na]+ 244.95462 127.7
[M-H]- 220.95812 119.9
[M+NH4]+ 239.99922 142.6
[M+K]+ 260.92856 132.5
[M+H-H2O]+ 204.96266 115.6
[M+HCOO]- 266.96360 144.6
[M+CH3COO]- 280.97925 177.1
[M+Na-2H]- 242.94007 121.5
[M]+ 221.96485 123.7
[M]- 221.96595 123.7
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

No patent data available for this compound.