CID 67184620

5-iodo-4-methyl-1h-pyrazole

Structural Information

Molecular Formula
C4H5IN2
SMILES
CC1=C(NN=C1)I
InChI
InChI=1S/C4H5IN2/c1-3-2-6-7-4(3)5/h2H,1H3,(H,6,7)
InChIKey
LLMUDCINLAXPAP-UHFFFAOYSA-N
Compound name
5-iodo-4-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

207.94975 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.95703 123.7
[M+Na]+ 230.93897 128.0
[M+NH4]+ 225.98357 127.7
[M+K]+ 246.91291 127.6
[M-H]- 206.94247 117.8
[M+Na-2H]- 228.92442 117.3
[M]+ 207.94920 121.4
[M]- 207.95030 121.4
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